N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide

C32H35N3O4S — CID 11318934

IUPACN-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide
SMILESCN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3)cc21
InChIInChI=1S/C32H35N3O4S/c1-34(2)29(36)21-35-28-20-26(32(37)33-40(38,39)22-23-12-6-3-7-13-23)18-19-27(28)30(24-14-8-4-9-15-24)31(35)25-16-10-5-11-17-25/h3,5-7,10-13,16-20,24H,4,8-9,14-15,21-22H2,1-2H3,(H,33,37)
InChIKeyCBIDQLOERRVRKO-UHFFFAOYSA-N
MW557.72 g/mol
LogP5.70
Rot. Bonds8

About N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide

N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide (PubChem CID 11318934) has the molecular formula C32H35N3O4S and a molecular weight of 557.72 g/mol. Its IUPAC name is N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide
PubChem CID11318934
Molecular FormulaC32H35N3O4S
Molecular Weight557.72 g/mol
Exact Mass557.23
IUPAC NameN-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide
SMILESCN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3)cc21
InChIInChI=1S/C32H35N3O4S/c1-34(2)29(36)21-35-28-20-26(32(37)33-40(38,39)22-23-12-6-3-7-13-23)18-19-27(28)30(24-14-8-4-9-15-24)31(35)25-16-10-5-11-17-25/h3,5-7,10-13,16-20,24H,4,8-9,14-15,21-22H2,1-2H3,(H,33,37)
InChIKeyCBIDQLOERRVRKO-UHFFFAOYSA-N
XLogP5.70
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.72
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 56593147
ECE Inhibitor, 11
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N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-2-methylindole-3-carboxamide
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3-Cyclohexyl-1-[2-(methanesulfonamido)-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid
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3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-N-ethylsulfonyl-2-phenylindole-6-carboxamide
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CID 25225632
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CID 25226007
1-[(2,5-difluorophenyl)methyl]-5-ethyl-N-ethylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide?
The IUPAC name of N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide (CID 11318934) is N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide?
The canonical SMILES for N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide is CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3)cc21.
What is the InChIKey of N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide?
The InChIKey is CBIDQLOERRVRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4S/c1-34(2)29(36)21-35-28-20-26(32(37)33-40(38,39)22-23-12-6-3-7-13-23)18-19-27(28)30(24-14-8-4-9-15-24)31(35)25-16-10-5-11-17-25/h3,5-7,10-13,16-20,24H,4,8-9,14-15,21-22H2,1-2H3,(H,33,37).
What are the key properties of N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide?
N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide has a molecular weight of 557.72 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-phenylindole-6-carboxamide is sourced from PubChem (CID 11318934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).