3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid

C24H26N2O5S — CID 5275442

IUPAC3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
SMILESCS(=O)(=O)NC(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C24H26N2O5S/c1-32(30,31)25-21(27)15-26-20-14-18(24(28)29)12-13-19(20)22(16-8-4-2-5-9-16)23(26)17-10-6-3-7-11-17/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3,(H,25,27)(H,28,29)
InChIKeyKSWXNZWMEVSGQP-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.13
Rot. Bonds6

About 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid

3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid (PubChem CID 5275442) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
PubChem CID5275442
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
SMILESCS(=O)(=O)NC(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C24H26N2O5S/c1-32(30,31)25-21(27)15-26-20-14-18(24(28)29)12-13-19(20)22(16-8-4-2-5-9-16)23(26)17-10-6-3-7-11-17/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3,(H,25,27)(H,28,29)
InChIKeyKSWXNZWMEVSGQP-UHFFFAOYSA-N
XLogP4.13
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Nintedanib carboxylic acid
CID 135461425
3-Cyclohexyl-1-(2-morpholin-4-YL-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid
CID 4369534
2-(4-Chloro-phenyl)-3-cyclohexyl-1-dimethylcarbamoylmethyl-1H-indole-6-carboxylic acid
CID 5275447
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-(3-fluoro-phenyl)-1H-indole-6-carboxylic acid
CID 5275448
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-p-tolyl-1H-indole-6-carboxylic acid
CID 5275449
3-[N-[4-[2-(dimethylamino)ethyl-methylsulfonylamino]phenyl]-C-phenylcarbonimidoyl]-N-ethyl-2-hydroxy-1H-indole-6-carboxamide
CID 135399982
2-[2-[(9-Ethylcarbazol-3-yl)carbamoyl]phenyl] benzoic acid
CID 280492
3-Cyclohexyl-1-methyl-2-phenyl-indole-6-carboxylic acid
CID 514257
3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic acid
CID 514262
1H-Indole-6-carboxylic acid, 3-cyclohexyl-2-(2-pyridinyl)-
CID 514285
3-Cyclohexyl-2-phenyl-1H-indole-6-carboxylic acid
CID 5275439
1-Benzyl-3-cyclohexyl-2-phenyl-1H-indole-6-carboxylic acid
CID 5275440

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid (CID 5275442) is 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid is CS(=O)(=O)NC(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid?
The InChIKey is KSWXNZWMEVSGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-32(30,31)25-21(27)15-26-20-14-18(24(28)29)12-13-19(20)22(16-8-4-2-5-9-16)23(26)17-10-6-3-7-11-17/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid?
3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid has a molecular weight of 454.55 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(methanesulfonamido)-2-oxoethyl]-2-phenylindole-6-carboxylic acid is sourced from PubChem (CID 5275442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).