3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide

C25H27ClN4O4S — CID 58896263

IUPAC3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
SMILESO=C(NC1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C25H27ClN4O4S/c26-20-15-27-23-14-17(8-11-19(20)23)25(32)29-22-5-2-1-4-21(22)28-24(31)16-6-9-18(10-7-16)30-12-3-13-35(30,33)34/h6-11,14-15,21-22,27H,1-5,12-13H2,(H,28,31)(H,29,32)/t21?,22-/m1/s1
InChIKeyBQZPBHUHBATTHG-FOIFJWKZSA-N
MW515.04 g/mol
LogP3.83
Rot. Bonds5

About 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide

3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide (PubChem CID 58896263) has the molecular formula C25H27ClN4O4S and a molecular weight of 515.04 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
PubChem CID58896263
Molecular FormulaC25H27ClN4O4S
Molecular Weight515.04 g/mol
Exact Mass514.14
IUPAC Name3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
SMILESO=C(NC1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C25H27ClN4O4S/c26-20-15-27-23-14-17(8-11-19(20)23)25(32)29-22-5-2-1-4-21(22)28-24(31)16-6-9-18(10-7-16)30-12-3-13-35(30,33)34/h6-11,14-15,21-22,27H,1-5,12-13H2,(H,28,31)(H,29,32)/t21?,22-/m1/s1
InChIKeyBQZPBHUHBATTHG-FOIFJWKZSA-N
XLogP3.83
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 11202747
3-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
CID 11641494
3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
CID 11598427
3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1,3-oxazinan-3-yl)phenyl]carbamoyl]cyclohexyl]-1H-indole-6-carboxamide
CID 162120711
3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
N-[(8R,8aS)-1-oxo-2-[4-(2-oxo-1-pyridinyl)phenyl]-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
CID 90888077
N-[(7R,7aS)-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-7-yl]-3-chloro-1H-indole-6-carboxamide
CID 91569967
N-[(8R,8aR)-2-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-3-chloro-1H-indole-6-carboxamide
CID 91514049
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
3-chloro-N-[4-(dimethylcarbamoyl)-2-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 90711974
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433819
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623156

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide (CID 58896263) is 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide is O=C(NC1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The InChIKey is BQZPBHUHBATTHG-FOIFJWKZSA-N. The full InChI is InChI=1S/C25H27ClN4O4S/c26-20-15-27-23-14-17(8-11-19(20)23)25(32)29-22-5-2-1-4-21(22)28-24(31)16-6-9-18(10-7-16)30-12-3-13-35(30,33)34/h6-11,14-15,21-22,27H,1-5,12-13H2,(H,28,31)(H,29,32)/t21?,22-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide has a molecular weight of 515.04 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 58896263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).