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

C16H22N2OS — CID 107932572

IUPAC3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C16H22N2OS/c1-4-11(5-2)9-18-16(19)15-14(17)12-8-10(3)6-7-13(12)20-15/h6-8,11H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyLUMUOVCYBVGQCW-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.96
Rot. Bonds5

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

3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932572) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932572
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCCC(CC)CNC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C16H22N2OS/c1-4-11(5-2)9-18-16(19)15-14(17)12-8-10(3)6-7-13(12)20-15/h6-8,11H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyLUMUOVCYBVGQCW-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-ethylbutyl)-5-methyl-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-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
CID 107932423
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-N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106174309
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107932277
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932262

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide (CID 107932572) is 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide is CCC(CC)CNC(=O)c1sc2ccc(C)cc2c1N.
What is the InChIKey of 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is LUMUOVCYBVGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-11(5-2)9-18-16(19)15-14(17)12-8-10(3)6-7-13(12)20-15/h6-8,11H,4-5,9,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).