3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C211H212F5N19O36S2 — CID 158146042

IUPAC3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCOc1ccc(-c2nn[nH]n2)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.COc1ccc(C(C)C)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.Cc1c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cccc1-c1cccc(CO)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cc(-c2nn[nH]n2)ccc1F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(OC(F)(F)F)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(O)(O)NC(C)(CO)CO)cc1F.NC(=O)c1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)c1)C1(c2ccc3c(c2)OCO3)CCCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H32N2O6S.C28H31FN2O7S.C28H29NO4.C26H23N5O4.C25H20F3NO4.C25H20FN5O3.C25H23NO4.C24H20N2O4.7H2/c33-19-25-7-4-16-32(25)39(35,36)26-11-8-21(9-12-26)22-5-3-6-24(17-22)31-29(34)30(14-1-2-15-30)23-10-13-27-28(18-23)38-20-37-27;1-17-3-5-19(30-26(34)28(9-10-28)18-4-8-24-25(11-18)38-16-37-24)12-22(17)21-7-6-20(13-23(21)29)39(35,36)31-27(2,14-32)15-33;1-17(2)19-6-9-24(31-4)23(13-19)22-15-21(8-5-18(22)3)29-27(30)28(11-12-28)20-7-10-25-26(14-20)33-16-32-25;1-15-3-6-18(13-19(15)20-11-16(4-7-21(20)33-2)24-28-30-31-29-24)27-25(32)26(9-10-26)17-5-8-22-23(12-17)35-14-34-22;1-15-2-6-18(13-20(15)16-3-7-19(8-4-16)33-25(26,27)28)29-23(30)24(10-11-24)17-5-9-21-22(12-17)32-14-31-21;1-14-2-5-17(12-18(14)19-10-15(3-6-20(19)26)23-28-30-31-29-23)27-24(32)25(8-9-25)16-4-7-21-22(11-16)34-13-33-21;1-16-20(18-5-2-4-17(12-18)14-27)6-3-7-21(16)26-24(28)25(10-11-25)19-8-9-22-23(13-19)30-15-29-22;25-22(27)17-5-1-3-15(11-17)16-4-2-6-19(12-16)26-23(28)24(9-10-24)18-7-8-20-21(13-18)30-14-29-20;;;;;;;/h3,5-6,8-13,17-18,25,33H,1-2,4,7,14-16,19-20H2,(H,31,34);3-8,11-13,31-33,35-36H,9-10,14-16H2,1-2H3,(H,30,34);5-10,13-15,17H,11-12,16H2,1-4H3,(H,29,30);3-8,11-13H,9-10,14H2,1-2H3,(H,27,32)(H,28,29,30,31);2-9,12-13H,10-11,14H2,1H3,(H,29,30);2-7,10-12H,8-9,13H2,1H3,(H,27,32)(H,28,29,30,31);2-9,12-13,27H,10-11,14-15H2,1H3,(H,26,28);1-8,11-13H,9-10,14H2,(H2,25,27)(H,26,28);7*1H/t25-;;;;;;;;;;;;;;/m1............../s1
InChIKeyFUNJWNZUCZITRF-VBUFHLISSA-N
MW3749.24 g/mol
LogP40.15
Rot. Bonds48

About 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158146042) has the molecular formula C211H212F5N19O36S2 and a molecular weight of 3749.24 g/mol. Its IUPAC name is 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID158146042
Molecular FormulaC211H212F5N19O36S2
Molecular Weight3749.24 g/mol
Exact Mass3746.47
IUPAC Name3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCOc1ccc(-c2nn[nH]n2)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.COc1ccc(C(C)C)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.Cc1c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cccc1-c1cccc(CO)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cc(-c2nn[nH]n2)ccc1F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(OC(F)(F)F)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(O)(O)NC(C)(CO)CO)cc1F.NC(=O)c1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)c1)C1(c2ccc3c(c2)OCO3)CCCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H32N2O6S.C28H31FN2O7S.C28H29NO4.C26H23N5O4.C25H20F3NO4.C25H20FN5O3.C25H23NO4.C24H20N2O4.7H2/c33-19-25-7-4-16-32(25)39(35,36)26-11-8-21(9-12-26)22-5-3-6-24(17-22)31-29(34)30(14-1-2-15-30)23-10-13-27-28(18-23)38-20-37-27;1-17-3-5-19(30-26(34)28(9-10-28)18-4-8-24-25(11-18)38-16-37-24)12-22(17)21-7-6-20(13-23(21)29)39(35,36)31-27(2,14-32)15-33;1-17(2)19-6-9-24(31-4)23(13-19)22-15-21(8-5-18(22)3)29-27(30)28(11-12-28)20-7-10-25-26(14-20)33-16-32-25;1-15-3-6-18(13-19(15)20-11-16(4-7-21(20)33-2)24-28-30-31-29-24)27-25(32)26(9-10-26)17-5-8-22-23(12-17)35-14-34-22;1-15-2-6-18(13-20(15)16-3-7-19(8-4-16)33-25(26,27)28)29-23(30)24(10-11-24)17-5-9-21-22(12-17)32-14-31-21;1-14-2-5-17(12-18(14)19-10-15(3-6-20(19)26)23-28-30-31-29-23)27-24(32)25(8-9-25)16-4-7-21-22(11-16)34-13-33-21;1-16-20(18-5-2-4-17(12-18)14-27)6-3-7-21(16)26-24(28)25(10-11-25)19-8-9-22-23(13-19)30-15-29-22;25-22(27)17-5-1-3-15(11-17)16-4-2-6-19(12-16)26-23(28)24(9-10-24)18-7-8-20-21(13-18)30-14-29-20;;;;;;;/h3,5-6,8-13,17-18,25,33H,1-2,4,7,14-16,19-20H2,(H,31,34);3-8,11-13,31-33,35-36H,9-10,14-16H2,1-2H3,(H,30,34);5-10,13-15,17H,11-12,16H2,1-4H3,(H,29,30);3-8,11-13H,9-10,14H2,1-2H3,(H,27,32)(H,28,29,30,31);2-9,12-13H,10-11,14H2,1H3,(H,29,30);2-7,10-12H,8-9,13H2,1H3,(H,27,32)(H,28,29,30,31);2-9,12-13,27H,10-11,14-15H2,1H3,(H,26,28);1-8,11-13H,9-10,14H2,(H2,25,27)(H,26,28);7*1H/t25-;;;;;;;;;;;;;;/m1............../s1
InChIKeyFUNJWNZUCZITRF-VBUFHLISSA-N
XLogP40.15
TPSA730.97 Ų
H-Bond Donors18
H-Bond Acceptors43
Rotatable Bonds48
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003749.24
LogP ≤ 540.15
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1043

Analyze 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160776634
1-(3,4-dimethoxyphenyl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161491383
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]phenyl]cyclopropane-1-carboxamide
CID 59206690
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(2-methyl-1H-indol-5-yl)phenyl]cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(2,3-dihydro-1H-indol-5-yl)-4-methylphenyl]ethanone;N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 160606430
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-3-(trifluoromethoxy)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59207013
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-2-chloro-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzamide;2-[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]acetic acid;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)-2-(trifluoromethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 162118886
1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(6-methyl-5-phenyl-2-pyridinyl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 158039797
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-3-methyl-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen
CID 159454847
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3,4-dimethyl-5-(3-methylphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]ethanone;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 162139491
1-(3-chlorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-2-methylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59205960
N-[4-[3-(aminomethyl)phenyl]phenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoic acid;N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]-N-methylpyrazine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(3-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158382644

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158146042) is 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is COc1ccc(-c2nn[nH]n2)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.COc1ccc(C(C)C)cc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.Cc1c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cccc1-c1cccc(CO)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cc(-c2nn[nH]n2)ccc1F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(OC(F)(F)F)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(S(O)(O)NC(C)(CO)CO)cc1F.NC(=O)c1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)c1.O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)c1)C1(c2ccc3c(c2)OCO3)CCCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is FUNJWNZUCZITRF-VBUFHLISSA-N. The full InChI is InChI=1S/C30H32N2O6S.C28H31FN2O7S.C28H29NO4.C26H23N5O4.C25H20F3NO4.C25H20FN5O3.C25H23NO4.C24H20N2O4.7H2/c33-19-25-7-4-16-32(25)39(35,36)26-11-8-21(9-12-26)22-5-3-6-24(17-22)31-29(34)30(14-1-2-15-30)23-10-13-27-28(18-23)38-20-37-27;1-17-3-5-19(30-26(34)28(9-10-28)18-4-8-24-25(11-18)38-16-37-24)12-22(17)21-7-6-20(13-23(21)29)39(35,36)31-27(2,14-32)15-33;1-17(2)19-6-9-24(31-4)23(13-19)22-15-21(8-5-18(22)3)29-27(30)28(11-12-28)20-7-10-25-26(14-20)33-16-32-25;1-15-3-6-18(13-19(15)20-11-16(4-7-21(20)33-2)24-28-30-31-29-24)27-25(32)26(9-10-26)17-5-8-22-23(12-17)35-14-34-22;1-15-2-6-18(13-20(15)16-3-7-19(8-4-16)33-25(26,27)28)29-23(30)24(10-11-24)17-5-9-21-22(12-17)32-14-31-21;1-14-2-5-17(12-18(14)19-10-15(3-6-20(19)26)23-28-30-31-29-23)27-24(32)25(8-9-25)16-4-7-21-22(11-16)34-13-33-21;1-16-20(18-5-2-4-17(12-18)14-27)6-3-7-21(16)26-24(28)25(10-11-25)19-8-9-22-23(13-19)30-15-29-22;25-22(27)17-5-1-3-15(11-17)16-4-2-6-19(12-16)26-23(28)24(9-10-24)18-7-8-20-21(13-18)30-14-29-20;;;;;;;/h3,5-6,8-13,17-18,25,33H,1-2,4,7,14-16,19-20H2,(H,31,34);3-8,11-13,31-33,35-36H,9-10,14-16H2,1-2H3,(H,30,34);5-10,13-15,17H,11-12,16H2,1-4H3,(H,29,30);3-8,11-13H,9-10,14H2,1-2H3,(H,27,32)(H,28,29,30,31);2-9,12-13H,10-11,14H2,1H3,(H,29,30);2-7,10-12H,8-9,13H2,1H3,(H,27,32)(H,28,29,30,31);2-9,12-13,27H,10-11,14-15H2,1H3,(H,26,28);1-8,11-13H,9-10,14H2,(H2,25,27)(H,26,28);7*1H/t25-;;;;;;;;;;;;;;/m1............../s1.
What are the key properties of 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 3749.24 g/mol, XLogP of 40.15, 48 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]phenyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-dihydroxy-λ4-sulfanyl]-2-fluorophenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[3-(hydroxymethyl)phenyl]-2-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]cyclopentane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-5-propan-2-ylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158146042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).