N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane

C105H101Cl7F3N11O18S2 — CID 163795992

IUPACN-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane
SMILESCC(=O)c1ccc(C(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C2CC2)cc1.CCCNC(=O)COc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(C(=O)O)cc3)n2C)c(Cl)c1Cl.Cc1ccc2c(cc(C(=O)NC(c3ccc(C(=O)O)cc3)C(F)(F)F)n2C)c1Cl.Cc1ccc2c(cc(C(=O)NCc3ccc(C(=O)O)cc3)n2C)c1Cl.Cc1ccc2c(cc(C(=O)N[C@H](CO)c3ccc(C(=O)O)cc3)n2C)c1Cl.S.S
InChIInChI=1S/C24H25Cl2N3O6.C22H20Cl2N2O2.C20H16ClF3N2O3.C20H19ClN2O4.C19H17ClN2O3.2H2S/c1-3-8-27-20(31)12-35-19-10-17-15(21(25)22(19)26)9-18(29(17)2)23(32)28-16(11-30)13-4-6-14(7-5-13)24(33)34;1-12(27)13-3-5-14(6-4-13)21(15-7-8-15)25-22(28)19-11-16-18(26(19)2)10-9-17(23)20(16)24;1-10-3-8-14-13(16(10)21)9-15(26(14)2)18(27)25-17(20(22,23)24)11-4-6-12(7-5-11)19(28)29;1-11-3-8-16-14(18(11)21)9-17(23(16)2)19(25)22-15(10-24)12-4-6-13(7-5-12)20(26)27;1-11-3-8-15-14(17(11)20)9-16(22(15)2)18(23)21-10-12-4-6-13(7-5-12)19(24)25;;/h4-7,9-10,16,30H,3,8,11-12H2,1-2H3,(H,27,31)(H,28,32)(H,33,34);3-6,9-11,15,21H,7-8H2,1-2H3,(H,25,28);3-9,17H,1-2H3,(H,25,27)(H,28,29);3-9,15,24H,10H2,1-2H3,(H,22,25)(H,26,27);3-9H,10H2,1-2H3,(H,21,23)(H,24,25);2*1H2/t16-;;;15-;;;/m1..1.../s1
InChIKeyNAVFKZARCKKGLM-JHUFVWFOSA-N
MW2174.32 g/mol
LogP21.29
Rot. Bonds28

About N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane

N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane (PubChem CID 163795992) has the molecular formula C105H101Cl7F3N11O18S2 and a molecular weight of 2174.32 g/mol. Its IUPAC name is N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane.

Molecular Properties

Compound NameN-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane
PubChem CID163795992
Molecular FormulaC105H101Cl7F3N11O18S2
Molecular Weight2174.32 g/mol
Exact Mass2169.45
IUPAC NameN-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane
SMILESCC(=O)c1ccc(C(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C2CC2)cc1.CCCNC(=O)COc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(C(=O)O)cc3)n2C)c(Cl)c1Cl.Cc1ccc2c(cc(C(=O)NC(c3ccc(C(=O)O)cc3)C(F)(F)F)n2C)c1Cl.Cc1ccc2c(cc(C(=O)NCc3ccc(C(=O)O)cc3)n2C)c1Cl.Cc1ccc2c(cc(C(=O)N[C@H](CO)c3ccc(C(=O)O)cc3)n2C)c1Cl.S.S
InChIInChI=1S/C24H25Cl2N3O6.C22H20Cl2N2O2.C20H16ClF3N2O3.C20H19ClN2O4.C19H17ClN2O3.2H2S/c1-3-8-27-20(31)12-35-19-10-17-15(21(25)22(19)26)9-18(29(17)2)23(32)28-16(11-30)13-4-6-14(7-5-13)24(33)34;1-12(27)13-3-5-14(6-4-13)21(15-7-8-15)25-22(28)19-11-16-18(26(19)2)10-9-17(23)20(16)24;1-10-3-8-14-13(16(10)21)9-15(26(14)2)18(27)25-17(20(22,23)24)11-4-6-12(7-5-11)19(28)29;1-11-3-8-16-14(18(11)21)9-17(23(16)2)19(25)22-15(10-24)12-4-6-13(7-5-12)20(26)27;1-11-3-8-15-14(17(11)20)9-16(22(15)2)18(23)21-10-12-4-6-13(7-5-12)19(24)25;;/h4-7,9-10,16,30H,3,8,11-12H2,1-2H3,(H,27,31)(H,28,32)(H,33,34);3-6,9-11,15,21H,7-8H2,1-2H3,(H,25,28);3-9,17H,1-2H3,(H,25,27)(H,28,29);3-9,15,24H,10H2,1-2H3,(H,22,25)(H,26,27);3-9H,10H2,1-2H3,(H,21,23)(H,24,25);2*1H2/t16-;;;15-;;;/m1..1.../s1
InChIKeyNAVFKZARCKKGLM-JHUFVWFOSA-N
XLogP21.29
TPSA415.21 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002174.32
LogP ≤ 521.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane?
The IUPAC name of N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane (CID 163795992) is N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane.
What is the SMILES notation for N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane?
The canonical SMILES for N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane is CC(=O)c1ccc(C(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C2CC2)cc1.CCCNC(=O)COc1cc2c(cc(C(=O)N[C@H](CO)c3ccc(C(=O)O)cc3)n2C)c(Cl)c1Cl.Cc1ccc2c(cc(C(=O)NC(c3ccc(C(=O)O)cc3)C(F)(F)F)n2C)c1Cl.Cc1ccc2c(cc(C(=O)NCc3ccc(C(=O)O)cc3)n2C)c1Cl.Cc1ccc2c(cc(C(=O)N[C@H](CO)c3ccc(C(=O)O)cc3)n2C)c1Cl.S.S.
What is the InChIKey of N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane?
The InChIKey is NAVFKZARCKKGLM-JHUFVWFOSA-N. The full InChI is InChI=1S/C24H25Cl2N3O6.C22H20Cl2N2O2.C20H16ClF3N2O3.C20H19ClN2O4.C19H17ClN2O3.2H2S/c1-3-8-27-20(31)12-35-19-10-17-15(21(25)22(19)26)9-18(29(17)2)23(32)28-16(11-30)13-4-6-14(7-5-13)24(33)34;1-12(27)13-3-5-14(6-4-13)21(15-7-8-15)25-22(28)19-11-16-18(26(19)2)10-9-17(23)20(16)24;1-10-3-8-14-13(16(10)21)9-15(26(14)2)18(27)25-17(20(22,23)24)11-4-6-12(7-5-11)19(28)29;1-11-3-8-16-14(18(11)21)9-17(23(16)2)19(25)22-15(10-24)12-4-6-13(7-5-12)20(26)27;1-11-3-8-15-14(17(11)20)9-16(22(15)2)18(23)21-10-12-4-6-13(7-5-12)19(24)25;;/h4-7,9-10,16,30H,3,8,11-12H2,1-2H3,(H,27,31)(H,28,32)(H,33,34);3-6,9-11,15,21H,7-8H2,1-2H3,(H,25,28);3-9,17H,1-2H3,(H,25,27)(H,28,29);3-9,15,24H,10H2,1-2H3,(H,22,25)(H,26,27);3-9H,10H2,1-2H3,(H,21,23)(H,24,25);2*1H2/t16-;;;15-;;;/m1..1.../s1.
What are the key properties of N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane?
N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane has a molecular weight of 2174.32 g/mol, XLogP of 21.29, 28 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)-cyclopropylmethyl]-4,5-dichloro-1-methylindole-2-carboxamide;4-[(1S)-1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid;4-[[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]methyl]benzoic acid;4-[1-[(4-chloro-1,5-dimethylindole-2-carbonyl)amino]-2,2,2-trifluoroethyl]benzoic acid;4-[(1S)-1-[[4,5-dichloro-1-methyl-6-[2-oxo-2-(propylamino)ethoxy]indole-2-carbonyl]amino]-2-hydroxyethyl]benzoic acid;sulfane is sourced from PubChem (CID 163795992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).