3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide

C16H20N2OS — CID 107421061

IUPAC3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCC1CCCC1CNC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C16H20N2OS/c1-10-5-4-6-11(10)9-18-16(19)15-14(17)12-7-2-3-8-13(12)20-15/h2-3,7-8,10-11H,4-6,9,17H2,1H3,(H,18,19)
InChIKeyHCTFADYZINPXLO-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.65
Rot. Bonds3

About 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide

3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 107421061) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID107421061
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCC1CCCC1CNC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C16H20N2OS/c1-10-5-4-6-11(10)9-18-16(19)15-14(17)12-7-2-3-8-13(12)20-15/h2-3,7-8,10-11H,4-6,9,17H2,1H3,(H,18,19)
InChIKeyHCTFADYZINPXLO-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(2-methylcyclopentyl)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

5-amino-N-[(2-methylcyclopentyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 107421062
3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 107421057
3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide
CID 115366277
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 103690758
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
2-amino-4-methyl-N-[(2-methylcyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 55115770
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 115357356
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
(3-amino-1-benzothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102970975
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
3-amino-N-(2,2-dimethylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79871174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide (CID 107421061) is 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide is CC1CCCC1CNC(=O)c1sc2ccccc2c1N.
What is the InChIKey of 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HCTFADYZINPXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-5-4-6-11(10)9-18-16(19)15-14(17)12-7-2-3-8-13(12)20-15/h2-3,7-8,10-11H,4-6,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide?
3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107421061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).