1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen

C190H182ClF3N12O34S2 — CID 157256188

IUPAC1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen
SMILESCCN(CC)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)S(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C(C)C)cc1.COC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc1-c1cc(F)cc(C(=O)O)c1.O=C(c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2Cl)cc1)N1CCOCC1.[H][H]
InChIInChI=1S/C30H32N2O6S.C29H30N2O4.C28H25ClN2O5.C28H28N2O4.C25H18F3NO5.C25H24N2O5S.C25H23NO5.H2/c1-20-5-9-23(31-29(33)30(13-14-30)22-8-12-27-28(16-22)38-19-37-27)17-26(20)21-6-10-25(11-7-21)39(34,35)32-15-3-4-24(32)18-36-2;1-4-31(5-2)27(32)21-9-7-20(8-10-21)24-17-23(12-6-19(24)3)30-28(33)29(14-15-29)22-11-13-25-26(16-22)35-18-34-25;29-23-7-6-21(30-27(33)28(9-10-28)20-5-8-24-25(15-20)36-17-35-24)16-22(23)18-1-3-19(4-2-18)26(32)31-11-13-34-14-12-31;1-17(2)22-10-9-21(15-23(22)18-4-6-19(7-5-18)26(31)29-3)30-27(32)28(12-13-28)20-8-11-24-25(14-20)34-16-33-24;1-13-2-4-18(12-19(13)14-8-15(22(30)31)10-17(26)9-14)29-23(32)24(6-7-24)16-3-5-20-21(11-16)34-25(27,28)33-20;1-27(2)33(29,30)21-9-6-17(7-10-21)18-4-3-5-20(14-18)26-24(28)25(12-13-25)19-8-11-22-23(15-19)32-16-31-22;1-29-21-9-7-19(13-20(21)17-4-2-16(14-27)3-5-17)26-24(28)25(10-11-25)18-6-8-22-23(12-18)31-15-30-22;/h5-12,16-17,24H,3-4,13-15,18-19H2,1-2H3,(H,31,33);6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,30,33);1-8,15-16H,9-14,17H2,(H,30,33);4-11,14-15,17H,12-13,16H2,1-3H3,(H,29,31)(H,30,32);2-5,8-12H,6-7H2,1H3,(H,29,32)(H,30,31);3-11,14-15H,12-13,16H2,1-2H3,(H,26,28);2-9,12-13,27H,10-11,14-15H2,1H3,(H,26,28);1H/t24-;;;;;;;/m1......./s1
InChIKeyAWXOWJIHFJFOSG-MXHAQYIASA-N
MW3334.18 g/mol
LogP34.51
Rot. Bonds43

About 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen (PubChem CID 157256188) has the molecular formula C190H182ClF3N12O34S2 and a molecular weight of 3334.18 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen
PubChem CID157256188
Molecular FormulaC190H182ClF3N12O34S2
Molecular Weight3334.18 g/mol
Exact Mass3331.20
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen
SMILESCCN(CC)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)S(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C(C)C)cc1.COC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc1-c1cc(F)cc(C(=O)O)c1.O=C(c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2Cl)cc1)N1CCOCC1.[H][H]
InChIInChI=1S/C30H32N2O6S.C29H30N2O4.C28H25ClN2O5.C28H28N2O4.C25H18F3NO5.C25H24N2O5S.C25H23NO5.H2/c1-20-5-9-23(31-29(33)30(13-14-30)22-8-12-27-28(16-22)38-19-37-27)17-26(20)21-6-10-25(11-7-21)39(34,35)32-15-3-4-24(32)18-36-2;1-4-31(5-2)27(32)21-9-7-20(8-10-21)24-17-23(12-6-19(24)3)30-28(33)29(14-15-29)22-11-13-25-26(16-22)35-18-34-25;29-23-7-6-21(30-27(33)28(9-10-28)20-5-8-24-25(15-20)36-17-35-24)16-22(23)18-1-3-19(4-2-18)26(32)31-11-13-34-14-12-31;1-17(2)22-10-9-21(15-23(22)18-4-6-19(7-5-18)26(31)29-3)30-27(32)28(12-13-28)20-8-11-24-25(14-20)34-16-33-24;1-13-2-4-18(12-19(13)14-8-15(22(30)31)10-17(26)9-14)29-23(32)24(6-7-24)16-3-5-20-21(11-16)34-25(27,28)33-20;1-27(2)33(29,30)21-9-6-17(7-10-21)18-4-3-5-20(14-18)26-24(28)25(12-13-25)19-8-11-22-23(15-19)32-16-31-22;1-29-21-9-7-19(13-20(21)17-4-2-16(14-27)3-5-17)26-24(28)25(10-11-25)18-6-8-22-23(12-18)31-15-30-22;/h5-12,16-17,24H,3-4,13-15,18-19H2,1-2H3,(H,31,33);6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,30,33);1-8,15-16H,9-14,17H2,(H,30,33);4-11,14-15,17H,12-13,16H2,1-3H3,(H,29,31)(H,30,32);2-5,8-12H,6-7H2,1H3,(H,29,32)(H,30,31);3-11,14-15H,12-13,16H2,1-2H3,(H,26,28);2-9,12-13,27H,10-11,14-15H2,1H3,(H,26,28);1H/t24-;;;;;;;/m1......./s1
InChIKeyAWXOWJIHFJFOSG-MXHAQYIASA-N
XLogP34.51
TPSA562.62 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds43
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003334.18
LogP ≤ 534.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen (CID 157256188) is 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen is CCN(CC)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CN(C)S(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c2)cc1.CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C(C)C)cc1.COC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)cc1-c1cc(F)cc(C(=O)O)c1.O=C(c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2Cl)cc1)N1CCOCC1.[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen?
The InChIKey is AWXOWJIHFJFOSG-MXHAQYIASA-N. The full InChI is InChI=1S/C30H32N2O6S.C29H30N2O4.C28H25ClN2O5.C28H28N2O4.C25H18F3NO5.C25H24N2O5S.C25H23NO5.H2/c1-20-5-9-23(31-29(33)30(13-14-30)22-8-12-27-28(16-22)38-19-37-27)17-26(20)21-6-10-25(11-7-21)39(34,35)32-15-3-4-24(32)18-36-2;1-4-31(5-2)27(32)21-9-7-20(8-10-21)24-17-23(12-6-19(24)3)30-28(33)29(14-15-29)22-11-13-25-26(16-22)35-18-34-25;29-23-7-6-21(30-27(33)28(9-10-28)20-5-8-24-25(15-20)36-17-35-24)16-22(23)18-1-3-19(4-2-18)26(32)31-11-13-34-14-12-31;1-17(2)22-10-9-21(15-23(22)18-4-6-19(7-5-18)26(31)29-3)30-27(32)28(12-13-28)20-8-11-24-25(14-20)34-16-33-24;1-13-2-4-18(12-19(13)14-8-15(22(30)31)10-17(26)9-14)29-23(32)24(6-7-24)16-3-5-20-21(11-16)34-25(27,28)33-20;1-27(2)33(29,30)21-9-6-17(7-10-21)18-4-3-5-20(14-18)26-24(28)25(12-13-25)19-8-11-22-23(15-19)32-16-31-22;1-29-21-9-7-19(13-20(21)17-4-2-16(14-27)3-5-17)26-24(28)25(10-11-25)18-6-8-22-23(12-18)31-15-30-22;/h5-12,16-17,24H,3-4,13-15,18-19H2,1-2H3,(H,31,33);6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,30,33);1-8,15-16H,9-14,17H2,(H,30,33);4-11,14-15,17H,12-13,16H2,1-3H3,(H,29,31)(H,30,32);2-5,8-12H,6-7H2,1H3,(H,29,32)(H,30,31);3-11,14-15H,12-13,16H2,1-2H3,(H,26,28);2-9,12-13,27H,10-11,14-15H2,1H3,(H,26,28);1H/t24-;;;;;;;/m1......./s1.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen has a molecular weight of 3334.18 g/mol, XLogP of 34.51, 43 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-[4-(morpholine-4-carbonyl)phenyl]phenyl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N,N-diethylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methoxyphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-[(2R)-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]-5-fluorobenzoic acid;molecular hydrogen is sourced from PubChem (CID 157256188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).