4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate

C100H103F3N7O16S2- — CID 158750030

About 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate (PubChem CID 158750030) has the molecular formula C100H103F3N7O16S2- and a molecular weight of 1780.08 g/mol. Its IUPAC name is 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate.

Molecular Properties

• Compound Name: 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate
• PubChem CID: 158750030
• Molecular Formula: C100H103F3N7O16S2-
• Molecular Weight: 1780.08 g/mol
• Exact Mass: 1778.69
• IUPAC Name: 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate
• SMILES: Cc1ccc(NC(=O)C2(c3ccc4c(c3)CCO4)CC2)cc1-c1cccc(C(=O)O)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccs1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccnc(C(N)=O)c1.O=C(Nc1cccc(-c2ccc(S(=O)[O-])cc2)c1)C1(c2ccc(OC(F)(F)F)cc2)CC1.OC[C@H]1CCCN1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H23NO4.C24H21N3O4.C23H18F3NO4S.C22H19NO3S.C5H11NO.6H2/c1-16-5-7-21(15-22(16)17-3-2-4-19(13-17)24(28)29)27-25(30)26(10-11-26)20-6-8-23-18(14-20)9-12-31-23;1-14-2-4-17(12-18(14)15-6-9-26-19(10-15)22(25)28)27-23(29)24(7-8-24)16-3-5-20-21(11-16)31-13-30-20;24-23(25,26)31-19-8-6-17(7-9-19)22(12-13-22)21(28)27-18-3-1-2-16(14-18)15-4-10-20(11-5-15)32(29)30;1-14-4-6-16(12-17(14)20-3-2-10-27-20)23-21(24)22(8-9-22)15-5-7-18-19(11-15)26-13-25-18;7-4-5-2-1-3-6-5;;;;;;/h2-8,13-15H,9-12H2,1H3,(H,27,30)(H,28,29);2-6,9-12H,7-8,13H2,1H3,(H2,25,28)(H,27,29);1-11,14H,12-13H2,(H,27,28)(H,29,30);2-7,10-12H,8-9,13H2,1H3,(H,23,24);5-7H,1-4H2;6*1H/p-1/t;;;;5-;;;;;;/m....1....../s1
• InChIKey: ZJDPHOBIAASOND-DPUUPFQGSA-M
• XLogP: 20.01
• TPSA: 337.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1780.08
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate?

The IUPAC name of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate (CID 158750030) is 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate.

What is the SMILES notation for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate?

The canonical SMILES for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate is Cc1ccc(NC(=O)C2(c3ccc4c(c3)CCO4)CC2)cc1-c1cccc(C(=O)O)c1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccs1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccnc(C(N)=O)c1.O=C(Nc1cccc(-c2ccc(S(=O)[O-])cc2)c1)C1(c2ccc(OC(F)(F)F)cc2)CC1.OC[C@H]1CCCN1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate?

The InChIKey is ZJDPHOBIAASOND-DPUUPFQGSA-M. The full InChI is InChI=1S/C26H23NO4.C24H21N3O4.C23H18F3NO4S.C22H19NO3S.C5H11NO.6H2/c1-16-5-7-21(15-22(16)17-3-2-4-19(13-17)24(28)29)27-25(30)26(10-11-26)20-6-8-23-18(14-20)9-12-31-23;1-14-2-4-17(12-18(14)15-6-9-26-19(10-15)22(25)28)27-23(29)24(7-8-24)16-3-5-20-21(11-16)31-13-30-20;24-23(25,26)31-19-8-6-17(7-9-19)22(12-13-22)21(28)27-18-3-1-2-16(14-18)15-4-10-20(11-5-15)32(29)30;1-14-4-6-16(12-17(14)20-3-2-10-27-20)23-21(24)22(8-9-22)15-5-7-18-19(11-15)26-13-25-18;7-4-5-2-1-3-6-5;;;;;;/h2-8,13-15H,9-12H2,1H3,(H,27,30)(H,28,29);2-6,9-12H,7-8,13H2,1H3,(H2,25,28)(H,27,29);1-11,14H,12-13H2,(H,27,28)(H,29,30);2-7,10-12H,8-9,13H2,1H3,(H,23,24);5-7H,1-4H2;6*1H/p-1/t;;;;5-;;;;;;/m....1....../s1.

What are the key properties of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate?

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate has a molecular weight of 1780.08 g/mol, XLogP of 20.01, 21 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]pyridine-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-thiophen-2-ylphenyl)cyclopropane-1-carboxamide;3-[5-[[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol;4-[3-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]phenyl]benzenesulfinate is sourced from PubChem (CID 158750030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).