N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide

C15H19NO3S2 — CID 86941343

IUPACN-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide
SMILESCCCC(C)CS(=O)(=O)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H19NO3S2/c1-3-6-11(2)10-21(18,19)16-15(17)14-9-12-7-4-5-8-13(12)20-14/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,16,17)
InChIKeyFALBXJUNPWEVLI-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.40
Rot. Bonds6

About N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide

N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide (PubChem CID 86941343) has the molecular formula C15H19NO3S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide
PubChem CID86941343
Molecular FormulaC15H19NO3S2
Molecular Weight325.45 g/mol
Exact Mass325.08
IUPAC NameN-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide
SMILESCCCC(C)CS(=O)(=O)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H19NO3S2/c1-3-6-11(2)10-21(18,19)16-15(17)14-9-12-7-4-5-8-13(12)20-14/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,16,17)
InChIKeyFALBXJUNPWEVLI-UHFFFAOYSA-N
XLogP3.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylpentylsulfonyl)-1-benzothiophene-2-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-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283
N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
CID 61407019
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
(2S)-2-(1-benzothiophene-2-carbonylamino)hexanoic acid
CID 107144524
N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119665559
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054
2-(1-benzothiophene-2-carbonylamino)butanoic acid
CID 43388189
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
N-(1-bromo-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 114177755
N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-benzothiophene-2-carboxamide
CID 107867741
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide (CID 86941343) is N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide is CCCC(C)CS(=O)(=O)NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide?
The InChIKey is FALBXJUNPWEVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-3-6-11(2)10-21(18,19)16-15(17)14-9-12-7-4-5-8-13(12)20-14/h4-5,7-9,11H,3,6,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide?
N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 86941343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).