N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide

C16H19NO3S2 — CID 122158928

IUPACN-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide
SMILESCS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1csc2ccccc12
InChIInChI=1S/C16H19NO3S2/c1-22(19,20)15-9-5-3-7-13(15)17-16(18)12-10-21-14-8-4-2-6-11(12)14/h2,4,6,8,10,13,15H,3,5,7,9H2,1H3,(H,17,18)/t13-,15-/m1/s1
InChIKeyWTBSTBIFHKSGSQ-UKRRQHHQSA-N
MW337.47 g/mol
LogP2.99
Rot. Bonds3

About N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide

N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide (PubChem CID 122158928) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide
PubChem CID122158928
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide
SMILESCS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1csc2ccccc12
InChIInChI=1S/C16H19NO3S2/c1-22(19,20)15-9-5-3-7-13(15)17-16(18)12-10-21-14-8-4-2-6-11(12)14/h2,4,6,8,10,13,15H,3,5,7,9H2,1H3,(H,17,18)/t13-,15-/m1/s1
InChIKeyWTBSTBIFHKSGSQ-UKRRQHHQSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 24871627
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
CID 114550457
cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320846
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119426966
N-(2,5-dichloro-4-methylidenecyclohexyl)-1-benzothiophene-3-carboxamide
CID 90746524
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
N-(2-chloro-5-fluoro-4-methylidenecyclohexyl)-1-benzothiophene-3-carboxamide
CID 90769889
4-(1-benzothiophene-3-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209011
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide
CID 112846041
N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-1-benzothiophene-3-carboxamide
CID 154875780
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide (CID 122158928) is N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide is CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1csc2ccccc12.
What is the InChIKey of N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide?
The InChIKey is WTBSTBIFHKSGSQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-22(19,20)15-9-5-3-7-13(15)17-16(18)12-10-21-14-8-4-2-6-11(12)14/h2,4,6,8,10,13,15H,3,5,7,9H2,1H3,(H,17,18)/t13-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide?
N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 122158928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).