3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide

C13H16N2O3S2 — CID 107932222

IUPAC3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCCS(C)(=O)=O)c(N)c2c1
InChIInChI=1S/C13H16N2O3S2/c1-8-3-4-10-9(7-8)11(14)12(19-10)13(16)15-5-6-20(2,17)18/h3-4,7H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyAJPYRTQEYGIUMA-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 107932222) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
PubChem CID107932222
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCCS(C)(=O)=O)c(N)c2c1
InChIInChI=1S/C13H16N2O3S2/c1-8-3-4-10-9(7-8)11(14)12(19-10)13(16)15-5-6-20(2,17)18/h3-4,7H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyAJPYRTQEYGIUMA-UHFFFAOYSA-N
XLogP1.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-methyl-N-(2-methylsulfonylethyl)-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

3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-5-methyl-N-pent-3-ynyl-1-benzothiophene-2-carboxamide
CID 107932588
3-amino-5-methyl-N-(2-thiophen-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932272
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932262
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106174309
3-amino-N-[(3-bromothiophen-2-yl)methyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932455
3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107932303

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide (CID 107932222) is 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NCCS(C)(=O)=O)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is AJPYRTQEYGIUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-8-3-4-10-9(7-8)11(14)12(19-10)13(16)15-5-6-20(2,17)18/h3-4,7H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).