N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid

C92H99N11O17S — CID 159250261

IUPACN-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)nc(-c4ccoc4)n5C4CCCCC4)CCNCC3)ccc21.O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C34H36N6O5.C31H33N3O6S.C27H30N2O6/c1-39-27-10-8-24(17-23(27)19-29(39)32(42)43)36-33(44)34(12-14-35-15-13-34)38-31(41)21-7-9-28-26(18-21)37-30(22-11-16-45-20-22)40(28)25-5-3-2-4-6-25;35-28(33-14-17-39-18-15-33)20-34-27-19-23(31(36)32-41(37,38)25-9-5-2-6-10-25)11-12-26(27)29(22-7-3-1-4-8-22)30(34)24-13-16-40-21-24;30-23(28-11-8-18(9-12-28)26(31)32)15-29-22-14-19(27(33)34)6-7-21(22)24(17-4-2-1-3-5-17)25(29)20-10-13-35-16-20/h7-11,16-20,25,35H,2-6,12-15H2,1H3,(H,36,44)(H,38,41)(H,42,43);2,5-6,9-13,16,19,21-22H,1,3-4,7-8,14-15,17-18,20H2,(H,32,36);6-7,10,13-14,16-18H,1-5,8-9,11-12,15H2,(H,31,32)(H,33,34)
InChIKeyKVEYMXXBKHNWBR-UHFFFAOYSA-N
MW1662.93 g/mol
LogP15.38
Rot. Bonds20

About N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid

N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid (PubChem CID 159250261) has the molecular formula C92H99N11O17S and a molecular weight of 1662.93 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid
PubChem CID159250261
Molecular FormulaC92H99N11O17S
Molecular Weight1662.93 g/mol
Exact Mass1661.69
IUPAC NameN-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)nc(-c4ccoc4)n5C4CCCCC4)CCNCC3)ccc21.O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCC(C(=O)O)CC3)c2c1
InChIInChI=1S/C34H36N6O5.C31H33N3O6S.C27H30N2O6/c1-39-27-10-8-24(17-23(27)19-29(39)32(42)43)36-33(44)34(12-14-35-15-13-34)38-31(41)21-7-9-28-26(18-21)37-30(22-11-16-45-20-22)40(28)25-5-3-2-4-6-25;35-28(33-14-17-39-18-15-33)20-34-27-19-23(31(36)32-41(37,38)25-9-5-2-6-10-25)11-12-26(27)29(22-7-3-1-4-8-22)30(34)24-13-16-40-21-24;30-23(28-11-8-18(9-12-28)26(31)32)15-29-22-14-19(27(33)34)6-7-21(22)24(17-4-2-1-3-5-17)25(29)20-10-13-35-16-20/h7-11,16-20,25,35H,2-6,12-15H2,1H3,(H,36,44)(H,38,41)(H,42,43);2,5-6,9-13,16,19,21-22H,1,3-4,7-8,14-15,17-18,20H2,(H,32,36);6-7,10,13-14,16-18H,1-5,8-9,11-12,15H2,(H,31,32)(H,33,34)
InChIKeyKVEYMXXBKHNWBR-UHFFFAOYSA-N
XLogP15.38
TPSA367.25 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001662.93
LogP ≤ 515.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid with MolForge

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Related Compounds

5-[[4-[[1-Cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 3012719
5-[[3-[[1-Cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 3012722
5-[3-[3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]butanoylamino]butanoylamino]-3-phenyl-1H-indole-2-carboxylic acid
CID 490800
1-Benzyl-5-[[1-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]indole-2-carboxylic acid
CID 3012662
5-[[1-[[1-Cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 3012696
5-[[1-[[1-Cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1-ethyl-indole-2-carboxylic acid
CID 3012704
5-[[4-[[1-Cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-1-methyl-piperidine-4-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 3012720
5-[[(2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoyl]amino]-1-methyl-indole-2-carboxylic acid
CID 5743091
4-(6-Acetamido-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)butanoic acid;3-[[3-(5-carboxypentyl)-2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-yl]-(3-sulfopropyl)amino]propane-1-sulfonate;3-[2,9-dimethyl-3-(2-phenoxyethyl)imidazo[4,5-b]carbazol-1-ium-1-yl]propane-1-sulfonate
CID 90969550
1-[4-[4-(2-Benzyl-1-benzofuran-3-yl)phenyl]phenyl]sulfonyl-4-phenylmethoxypyrrolidine-2-carboxylic acid;4-[2-benzyl-5-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]benzimidazol-1-yl]butanoic acid;2-[[1-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-3-pyridinyl]amino]-2-oxoacetic acid;2-[1-benzyl-5-(4-indol-1-ylphenyl)indol-3-yl]acetic acid;2-[5-(4-indol-1-ylphenyl)-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid
CID 157105954
N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
CID 157227309
benzyl (2S)-3-[4-(2-methoxy-2-oxoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;(2S)-3-[4-(carboxymethyl)phenyl]-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoic acid;1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid
CID 157769782

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid?
The IUPAC name of N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid (CID 159250261) is N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid.
What is the SMILES notation for N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid?
The canonical SMILES for N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)nc(-c4ccoc4)n5C4CCCCC4)CCNCC3)ccc21.O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCOCC3)c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCC(C(=O)O)CC3)c2c1.
What is the InChIKey of N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid?
The InChIKey is KVEYMXXBKHNWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O5.C31H33N3O6S.C27H30N2O6/c1-39-27-10-8-24(17-23(27)19-29(39)32(42)43)36-33(44)34(12-14-35-15-13-34)38-31(41)21-7-9-28-26(18-21)37-30(22-11-16-45-20-22)40(28)25-5-3-2-4-6-25;35-28(33-14-17-39-18-15-33)20-34-27-19-23(31(36)32-41(37,38)25-9-5-2-6-10-25)11-12-26(27)29(22-7-3-1-4-8-22)30(34)24-13-16-40-21-24;30-23(28-11-8-18(9-12-28)26(31)32)15-29-22-14-19(27(33)34)6-7-21(22)24(17-4-2-1-3-5-17)25(29)20-10-13-35-16-20/h7-11,16-20,25,35H,2-6,12-15H2,1H3,(H,36,44)(H,38,41)(H,42,43);2,5-6,9-13,16,19,21-22H,1,3-4,7-8,14-15,17-18,20H2,(H,32,36);6-7,10,13-14,16-18H,1-5,8-9,11-12,15H2,(H,31,32)(H,33,34).
What are the key properties of N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid?
N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid has a molecular weight of 1662.93 g/mol, XLogP of 15.38, 20 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid;5-[[4-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 159250261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).