1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate

C218H214ClF5N14O34S3 — CID 158272463

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate
SMILESCCCCN(C)S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2Cl)cc1.COCC(=O)N(C)Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1.Cc1cc(S(=O)(=O)O)ccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.Cc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)CC(C)C)cc1.O.O.O=C(Nc1cccc(-c2ccc(SNCCc3ccccn3)cc2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
InChIInChI=1S/C30H27N3O3S.C30H34N2O3.C29H28F2N2O5.C29H32N2O5S.C26H23ClN2O4.C25H20F3NO3.C25H23NO6S.C24H21NO3.2H2O.H2/c34-29(30(14-15-30)23-9-12-27-28(19-23)36-20-35-27)33-25-6-3-4-22(18-25)21-7-10-26(11-8-21)37-32-17-13-24-5-1-2-16-31-24;1-20(2)17-32(4)18-22-6-8-23(9-7-22)26-16-25(11-5-21(26)3)31-29(33)30(13-14-30)24-10-12-27-28(15-24)35-19-34-27;1-18-4-10-22(15-23(18)20-7-5-19(6-8-20)16-33(2)26(34)17-36-3)32-27(35)28(12-13-28)21-9-11-24-25(14-21)38-29(30,31)37-24;1-4-5-16-31(3)37(33,34)24-11-7-21(8-12-24)25-18-23(10-6-20(25)2)30-28(32)29(14-15-29)22-9-13-26-27(17-22)36-19-35-26;1-29(2)24(30)17-5-3-16(4-6-17)20-14-19(8-9-21(20)27)28-25(31)26(11-12-26)18-7-10-22-23(13-18)33-15-32-22;1-15-2-4-16(5-3-15)17-10-19(25(26,27)28)12-20(11-17)29-23(30)24(8-9-24)18-6-7-21-22(13-18)32-14-31-21;1-15-3-5-18(13-21(15)20-7-6-19(11-16(20)2)33(28,29)30)26-24(27)25(9-10-25)17-4-8-22-23(12-17)32-14-31-22;1-16-5-7-17(8-6-16)18-3-2-4-20(13-18)25-23(26)24(11-12-24)19-9-10-21-22(14-19)28-15-27-21;;;/h1-12,16,18-19,32H,13-15,17,20H2,(H,33,34);5-12,15-16,20H,13-14,17-19H2,1-4H3,(H,31,33);4-11,14-15H,12-13,16-17H2,1-3H3,(H,32,35);6-13,17-18H,4-5,14-16,19H2,1-3H3,(H,30,32);3-10,13-14H,11-12,15H2,1-2H3,(H,28,31);2-7,10-13H,8-9,14H2,1H3,(H,29,30);3-8,11-13H,9-10,14H2,1-2H3,(H,26,27)(H,28,29,30);2-10,13-14H,11-12,15H2,1H3,(H,25,26);2*1H2;1H
InChIKeyOJLABISRVWSPTQ-UHFFFAOYSA-N
MW3800.82 g/mol
LogP42.34
Rot. Bonds52

About 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate

1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate (PubChem CID 158272463) has the molecular formula C218H214ClF5N14O34S3 and a molecular weight of 3800.82 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate
PubChem CID158272463
Molecular FormulaC218H214ClF5N14O34S3
Molecular Weight3800.82 g/mol
Exact Mass3797.42
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate
SMILESCCCCN(C)S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2Cl)cc1.COCC(=O)N(C)Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1.Cc1cc(S(=O)(=O)O)ccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.Cc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)CC(C)C)cc1.O.O.O=C(Nc1cccc(-c2ccc(SNCCc3ccccn3)cc2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
InChIInChI=1S/C30H27N3O3S.C30H34N2O3.C29H28F2N2O5.C29H32N2O5S.C26H23ClN2O4.C25H20F3NO3.C25H23NO6S.C24H21NO3.2H2O.H2/c34-29(30(14-15-30)23-9-12-27-28(19-23)36-20-35-27)33-25-6-3-4-22(18-25)21-7-10-26(11-8-21)37-32-17-13-24-5-1-2-16-31-24;1-20(2)17-32(4)18-22-6-8-23(9-7-22)26-16-25(11-5-21(26)3)31-29(33)30(13-14-30)24-10-12-27-28(15-24)35-19-34-27;1-18-4-10-22(15-23(18)20-7-5-19(6-8-20)16-33(2)26(34)17-36-3)32-27(35)28(12-13-28)21-9-11-24-25(14-21)38-29(30,31)37-24;1-4-5-16-31(3)37(33,34)24-11-7-21(8-12-24)25-18-23(10-6-20(25)2)30-28(32)29(14-15-29)22-9-13-26-27(17-22)36-19-35-26;1-29(2)24(30)17-5-3-16(4-6-17)20-14-19(8-9-21(20)27)28-25(31)26(11-12-26)18-7-10-22-23(13-18)33-15-32-22;1-15-2-4-16(5-3-15)17-10-19(25(26,27)28)12-20(11-17)29-23(30)24(8-9-24)18-6-7-21-22(13-18)32-14-31-21;1-15-3-5-18(13-21(15)20-7-6-19(11-16(20)2)33(28,29)30)26-24(27)25(9-10-25)17-4-8-22-23(12-17)32-14-31-22;1-16-5-7-17(8-6-16)18-3-2-4-20(13-18)25-23(26)24(11-12-24)19-9-10-21-22(14-19)28-15-27-21;;;/h1-12,16,18-19,32H,13-15,17,20H2,(H,33,34);5-12,15-16,20H,13-14,17-19H2,1-4H3,(H,31,33);4-11,14-15H,12-13,16-17H2,1-3H3,(H,32,35);6-13,17-18H,4-5,14-16,19H2,1-3H3,(H,30,32);3-10,13-14H,11-12,15H2,1-2H3,(H,28,31);2-7,10-13H,8-9,14H2,1H3,(H,29,30);3-8,11-13H,9-10,14H2,1-2H3,(H,26,27)(H,28,29,30);2-10,13-14H,11-12,15H2,1H3,(H,25,26);2*1H2;1H
InChIKeyOJLABISRVWSPTQ-UHFFFAOYSA-N
XLogP42.34
TPSA613.24 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003800.82
LogP ≤ 542.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(2-acetamidoethylsulfamoyl)phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxyhexan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;2-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]sulfonylamino]acetic acid;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-methylphenyl]cyclopropane-1-carboxamide;3-[5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen
CID 159537368
1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(2-pyridin-2-ylethyl)benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159724951
1-(1,3-benzodioxol-5-yl)-N-[3-(4-chlorophenyl)-4-ethylphenyl]cyclopropane-1-carboxamide;4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160319599
1-(1,3-benzodioxol-5-yl)-N-[3-(3-cyano-4-hydroxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-fluorophenyl]benzamide;3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-dimethylbenzamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-4-methylbenzoic acid;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(2-pyridin-2-ylethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160005214

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate (CID 158272463) is 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate is CCCCN(C)S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2Cl)cc1.COCC(=O)N(C)Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)cc1.Cc1cc(S(=O)(=O)O)ccc1-c1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1C.Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.Cc1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CN(C)CC(C)C)cc1.O.O.O=C(Nc1cccc(-c2ccc(SNCCc3ccccn3)cc2)c1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate?
The InChIKey is OJLABISRVWSPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3S.C30H34N2O3.C29H28F2N2O5.C29H32N2O5S.C26H23ClN2O4.C25H20F3NO3.C25H23NO6S.C24H21NO3.2H2O.H2/c34-29(30(14-15-30)23-9-12-27-28(19-23)36-20-35-27)33-25-6-3-4-22(18-25)21-7-10-26(11-8-21)37-32-17-13-24-5-1-2-16-31-24;1-20(2)17-32(4)18-22-6-8-23(9-7-22)26-16-25(11-5-21(26)3)31-29(33)30(13-14-30)24-10-12-27-28(15-24)35-19-34-27;1-18-4-10-22(15-23(18)20-7-5-19(6-8-20)16-33(2)26(34)17-36-3)32-27(35)28(12-13-28)21-9-11-24-25(14-21)38-29(30,31)37-24;1-4-5-16-31(3)37(33,34)24-11-7-21(8-12-24)25-18-23(10-6-20(25)2)30-28(32)29(14-15-29)22-9-13-26-27(17-22)36-19-35-26;1-29(2)24(30)17-5-3-16(4-6-17)20-14-19(8-9-21(20)27)28-25(31)26(11-12-26)18-7-10-22-23(13-18)33-15-32-22;1-15-2-4-16(5-3-15)17-10-19(25(26,27)28)12-20(11-17)29-23(30)24(8-9-24)18-6-7-21-22(13-18)32-14-31-21;1-15-3-5-18(13-21(15)20-7-6-19(11-16(20)2)33(28,29)30)26-24(27)25(9-10-25)17-4-8-22-23(12-17)32-14-31-22;1-16-5-7-17(8-6-16)18-3-2-4-20(13-18)25-23(26)24(11-12-24)19-9-10-21-22(14-19)28-15-27-21;;;/h1-12,16,18-19,32H,13-15,17,20H2,(H,33,34);5-12,15-16,20H,13-14,17-19H2,1-4H3,(H,31,33);4-11,14-15H,12-13,16-17H2,1-3H3,(H,32,35);6-13,17-18H,4-5,14-16,19H2,1-3H3,(H,30,32);3-10,13-14H,11-12,15H2,1-2H3,(H,28,31);2-7,10-13H,8-9,14H2,1H3,(H,29,30);3-8,11-13H,9-10,14H2,1-2H3,(H,26,27)(H,28,29,30);2-10,13-14H,11-12,15H2,1H3,(H,25,26);2*1H2;1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate?
1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate has a molecular weight of 3800.82 g/mol, XLogP of 42.34, 52 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-chlorophenyl]-N,N-dimethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzenesulfonic acid;1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2-pyridin-2-ylethylamino)sulfanylphenyl]phenyl]cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;molecular hydrogen;dihydrate is sourced from PubChem (CID 158272463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).