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

C99H107ClN10O13S2 — CID 158443864

IUPACazane;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
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)c2)cc1.CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(N)=O)nc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccccn1.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H27ClN2O3S.C26H28N2O3S.C24H21N3O4.C23H20N2O3.H3N.4H2/c1-28-33(31,32)24-14-8-19(9-15-24)20-6-5-7-23(18-20)29-25(30)26(16-3-2-4-17-26)21-10-12-22(27)13-11-21;1-32(30,31)27-19-20-12-14-21(15-13-20)22-8-7-11-24(18-22)28-25(29)26(16-5-6-17-26)23-9-3-2-4-10-23;1-14-2-5-17(11-18(14)15-3-6-19(22(25)28)26-12-15)27-23(29)24(8-9-24)16-4-7-20-21(10-16)31-13-30-20;1-15-5-7-17(13-18(15)19-4-2-3-11-24-19)25-22(26)23(9-10-23)16-6-8-20-21(12-16)28-14-27-20;;;;;/h5-15,18,28H,2-4,16-17H2,1H3,(H,29,30);2-4,7-15,18,27H,5-6,16-17,19H2,1H3,(H,28,29);2-7,10-12H,8-9,13H2,1H3,(H2,25,28)(H,27,29);2-8,11-13H,9-10,14H2,1H3,(H,25,26);1H3;4*1H
InChIKeyOVRYAMDAOOXKDC-UHFFFAOYSA-N
MW1744.59 g/mol
LogP19.77
Rot. Bonds22

About 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

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 (PubChem CID 158443864) has the molecular formula C99H107ClN10O13S2 and a molecular weight of 1744.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameazane;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
PubChem CID158443864
Molecular FormulaC99H107ClN10O13S2
Molecular Weight1744.59 g/mol
Exact Mass1742.71
IUPAC Nameazane;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
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)c2)cc1.CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(N)=O)nc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccccn1.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H27ClN2O3S.C26H28N2O3S.C24H21N3O4.C23H20N2O3.H3N.4H2/c1-28-33(31,32)24-14-8-19(9-15-24)20-6-5-7-23(18-20)29-25(30)26(16-3-2-4-17-26)21-10-12-22(27)13-11-21;1-32(30,31)27-19-20-12-14-21(15-13-20)22-8-7-11-24(18-22)28-25(29)26(16-5-6-17-26)23-9-3-2-4-10-23;1-14-2-5-17(11-18(14)15-3-6-19(22(25)28)26-12-15)27-23(29)24(8-9-24)16-4-7-20-21(10-16)31-13-30-20;1-15-5-7-17(13-18(15)19-4-2-3-11-24-19)25-22(26)23(9-10-23)16-6-8-20-21(12-16)28-14-27-20;;;;;/h5-15,18,28H,2-4,16-17H2,1H3,(H,29,30);2-4,7-15,18,27H,5-6,16-17,19H2,1H3,(H,28,29);2-7,10-12H,8-9,13H2,1H3,(H2,25,28)(H,27,29);2-8,11-13H,9-10,14H2,1H3,(H,25,26);1H3;4*1H
InChIKeyOVRYAMDAOOXKDC-UHFFFAOYSA-N
XLogP19.77
TPSA349.53 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms125
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.59
LogP ≤ 519.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)c2)cc1.CS(=O)(=O)NCc1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(N)=O)nc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccccn1.N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is OVRYAMDAOOXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S.C26H28N2O3S.C24H21N3O4.C23H20N2O3.H3N.4H2/c1-28-33(31,32)24-14-8-19(9-15-24)20-6-5-7-23(18-20)29-25(30)26(16-3-2-4-17-26)21-10-12-22(27)13-11-21;1-32(30,31)27-19-20-12-14-21(15-13-20)22-8-7-11-24(18-22)28-25(29)26(16-5-6-17-26)23-9-3-2-4-10-23;1-14-2-5-17(11-18(14)15-3-6-19(22(25)28)26-12-15)27-23(29)24(8-9-24)16-4-7-20-21(10-16)31-13-30-20;1-15-5-7-17(13-18(15)19-4-2-3-11-24-19)25-22(26)23(9-10-23)16-6-8-20-21(12-16)28-14-27-20;;;;;/h5-15,18,28H,2-4,16-17H2,1H3,(H,29,30);2-4,7-15,18,27H,5-6,16-17,19H2,1H3,(H,28,29);2-7,10-12H,8-9,13H2,1H3,(H2,25,28)(H,27,29);2-8,11-13H,9-10,14H2,1H3,(H,25,26);1H3;4*1H.
What are the key properties of 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?
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 has a molecular weight of 1744.59 g/mol, XLogP of 19.77, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158443864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).