5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen

C76H86ClN7O12S2 — CID 159544809

IUPAC5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen
SMILESCNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cn1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)c2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N2O5S.C25H25ClN2O3S.C25H23N3O4.5H2/c1-27-34(30,31)24-12-6-19(7-13-24)20-4-3-5-22(18-20)28-25(29)26(14-16-33-17-15-26)21-8-10-23(32-2)11-9-21;1-27-32(30,31)23-13-7-18(8-14-23)19-5-4-6-22(17-19)28-24(29)25(15-2-3-16-25)20-9-11-21(26)12-10-20;1-15-3-6-18(12-19(15)16-4-7-20(27-13-16)23(29)26-2)28-24(30)25(9-10-25)17-5-8-21-22(11-17)32-14-31-21;;;;;/h3-13,18,27H,14-17H2,1-2H3,(H,28,29);4-14,17,27H,2-3,15-16H2,1H3,(H,28,29);3-8,11-13H,9-10,14H2,1-2H3,(H,26,29)(H,28,30);5*1H
InChIKeyMEQXSZKJXLKMED-UHFFFAOYSA-N
MW1389.15 g/mol
LogP14.37
Rot. Bonds18

About 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen

5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen (PubChem CID 159544809) has the molecular formula C76H86ClN7O12S2 and a molecular weight of 1389.15 g/mol. Its IUPAC name is 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen
PubChem CID159544809
Molecular FormulaC76H86ClN7O12S2
Molecular Weight1389.15 g/mol
Exact Mass1387.55
IUPAC Name5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen
SMILESCNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cn1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)c2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H28N2O5S.C25H25ClN2O3S.C25H23N3O4.5H2/c1-27-34(30,31)24-12-6-19(7-13-24)20-4-3-5-22(18-20)28-25(29)26(14-16-33-17-15-26)21-8-10-23(32-2)11-9-21;1-27-32(30,31)23-13-7-18(8-14-23)19-5-4-6-22(17-19)28-24(29)25(15-2-3-16-25)20-9-11-21(26)12-10-20;1-15-3-6-18(12-19(15)16-4-7-20(27-13-16)23(29)26-2)28-24(30)25(9-10-25)17-5-8-21-22(11-17)32-14-31-21;;;;;/h3-13,18,27H,14-17H2,1-2H3,(H,28,29);4-14,17,27H,2-3,15-16H2,1H3,(H,28,29);3-8,11-13H,9-10,14H2,1-2H3,(H,26,29)(H,28,30);5*1H
InChIKeyMEQXSZKJXLKMED-UHFFFAOYSA-N
XLogP14.37
TPSA258.55 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.15
LogP ≤ 514.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen 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-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 157701926
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
N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]benzamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[4-methyl-3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 162074794
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(2-pyridin-2-ylethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206262
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(4-pyridin-2-ylpiperidin-1-yl)sulfonylphenyl]phenyl]cyclopropane-1-carboxamide
CID 117781616
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157452385
1-(1,3-benzodioxol-5-yl)-N-[3-(6-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;N-[3-(4-ethoxyphenyl)-4-methylphenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclohexane-1-carboxamide;N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
CID 158046157
azane;5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclohexane-1-carboxamide;N-[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen
CID 158443864
1-(1,3-benzodioxol-5-yl)-N-[3-(5-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]cyclohexane-1-carboxamide;1-(2-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;methyl 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-1-methylpyrrole-2-carboxylate;molecular hydrogen
CID 160844981
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-[4-(2-pyridin-2-ylethylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161541309

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen?
The IUPAC name of 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen (CID 159544809) is 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen?
The canonical SMILES for 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen is CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cn1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CCOCC3)c2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen?
The InChIKey is MEQXSZKJXLKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S.C25H25ClN2O3S.C25H23N3O4.5H2/c1-27-34(30,31)24-12-6-19(7-13-24)20-4-3-5-22(18-20)28-25(29)26(14-16-33-17-15-26)21-8-10-23(32-2)11-9-21;1-27-32(30,31)23-13-7-18(8-14-23)19-5-4-6-22(17-19)28-24(29)25(15-2-3-16-25)20-9-11-21(26)12-10-20;1-15-3-6-18(12-19(15)16-4-7-20(27-13-16)23(29)26-2)28-24(30)25(9-10-25)17-5-8-21-22(11-17)32-14-31-21;;;;;/h3-13,18,27H,14-17H2,1-2H3,(H,28,29);4-14,17,27H,2-3,15-16H2,1H3,(H,28,29);3-8,11-13H,9-10,14H2,1-2H3,(H,26,29)(H,28,30);5*1H.
What are the key properties of 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen?
5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen has a molecular weight of 1389.15 g/mol, XLogP of 14.37, 18 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-methylpyridine-2-carboxamide;1-(4-chlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopentane-1-carboxamide;4-(4-methoxyphenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]oxane-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 159544809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).