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

C100H105ClN8O16S2 — CID 160844981

IUPAC1-(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
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4OC)CC3)c2)cc1.COC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)n1C.COc1cncc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)c1.CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)c2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H29ClN2O3S.C25H24N2O5.C24H24N2O4S.C24H22N2O4.3H2/c1-34(32,33)29-19-20-8-10-21(11-9-20)22-6-5-7-25(18-22)30-26(31)27(16-3-2-4-17-27)23-12-14-24(28)15-13-23;1-15-4-6-17(13-18(15)19-7-8-20(27(19)2)23(28)30-3)26-24(29)25(10-11-25)16-5-9-21-22(12-16)32-14-31-21;1-25-31(28,29)20-12-10-17(11-13-20)18-6-5-7-19(16-18)26-23(27)24(14-15-24)21-8-3-4-9-22(21)30-2;1-15-3-5-18(11-20(15)16-9-19(28-2)13-25-12-16)26-23(27)24(7-8-24)17-4-6-21-22(10-17)30-14-29-21;;;/h5-15,18,29H,2-4,16-17,19H2,1H3,(H,30,31);4-9,12-13H,10-11,14H2,1-3H3,(H,26,29);3-13,16,25H,14-15H2,1-2H3,(H,26,27);3-6,9-13H,7-8,14H2,1-2H3,(H,26,27);3*1H
InChIKeySINFJMXUFSUWSB-UHFFFAOYSA-N
MW1774.57 g/mol
LogP19.23
Rot. Bonds24

About 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

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 (PubChem CID 160844981) has the molecular formula C100H105ClN8O16S2 and a molecular weight of 1774.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID160844981
Molecular FormulaC100H105ClN8O16S2
Molecular Weight1774.57 g/mol
Exact Mass1772.68
IUPAC Name1-(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
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4OC)CC3)c2)cc1.COC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)n1C.COc1cncc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)c1.CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)c2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H29ClN2O3S.C25H24N2O5.C24H24N2O4S.C24H22N2O4.3H2/c1-34(32,33)29-19-20-8-10-21(11-9-20)22-6-5-7-25(18-22)30-26(31)27(16-3-2-4-17-27)23-12-14-24(28)15-13-23;1-15-4-6-17(13-18(15)19-7-8-20(27(19)2)23(28)30-3)26-24(29)25(10-11-25)16-5-9-21-22(12-16)32-14-31-21;1-25-31(28,29)20-12-10-17(11-13-20)18-6-5-7-19(16-18)26-23(27)24(14-15-24)21-8-3-4-9-22(21)30-2;1-15-3-5-18(11-20(15)16-9-19(28-2)13-25-12-16)26-23(27)24(7-8-24)17-4-6-21-22(10-17)30-14-29-21;;;/h5-15,18,29H,2-4,16-17,19H2,1H3,(H,30,31);4-9,12-13H,10-11,14H2,1-3H3,(H,26,29);3-13,16,25H,14-15H2,1-2H3,(H,26,27);3-6,9-13H,7-8,14H2,1-2H3,(H,26,27);3*1H
InChIKeySINFJMXUFSUWSB-UHFFFAOYSA-N
XLogP19.23
TPSA308.24 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001774.57
LogP ≤ 519.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4OC)CC3)c2)cc1.COC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)n1C.COc1cncc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)c1.CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)c2)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is SINFJMXUFSUWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3S.C25H24N2O5.C24H24N2O4S.C24H22N2O4.3H2/c1-34(32,33)29-19-20-8-10-21(11-9-20)22-6-5-7-25(18-22)30-26(31)27(16-3-2-4-17-27)23-12-14-24(28)15-13-23;1-15-4-6-17(13-18(15)19-7-8-20(27(19)2)23(28)30-3)26-24(29)25(10-11-25)16-5-9-21-22(12-16)32-14-31-21;1-25-31(28,29)20-12-10-17(11-13-20)18-6-5-7-19(16-18)26-23(27)24(14-15-24)21-8-3-4-9-22(21)30-2;1-15-3-5-18(11-20(15)16-9-19(28-2)13-25-12-16)26-23(27)24(7-8-24)17-4-6-21-22(10-17)30-14-29-21;;;/h5-15,18,29H,2-4,16-17,19H2,1H3,(H,30,31);4-9,12-13H,10-11,14H2,1-3H3,(H,26,29);3-13,16,25H,14-15H2,1-2H3,(H,26,27);3-6,9-13H,7-8,14H2,1-2H3,(H,26,27);3*1H.
What are the key properties of 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?
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 has a molecular weight of 1774.57 g/mol, XLogP of 19.23, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160844981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).