3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide

C16H20N2O2S — CID 106367912

IUPAC3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCCC3CO)c(N)c2c1
InChIInChI=1S/C16H20N2O2S/c1-9-5-6-13-11(7-9)14(17)15(21-13)16(20)18-12-4-2-3-10(12)8-19/h5-7,10,12,19H,2-4,8,17H2,1H3,(H,18,20)
InChIKeyIZEANDXGHRPVSL-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.68
Rot. Bonds3

About 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide

3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 106367912) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID106367912
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NC3CCCC3CO)c(N)c2c1
InChIInChI=1S/C16H20N2O2S/c1-9-5-6-13-11(7-9)14(17)15(21-13)16(20)18-12-4-2-3-10(12)8-19/h5-7,10,12,19H,2-4,8,17H2,1H3,(H,18,20)
InChIKeyIZEANDXGHRPVSL-UHFFFAOYSA-N
XLogP2.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932329
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155
3-amino-5-methyl-N-(3-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 107932175
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387
2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107932303
3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896565
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119603360
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
(3-amino-5-methyl-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107932212

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide (CID 106367912) is 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NC3CCCC3CO)c(N)c2c1.
What is the InChIKey of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is IZEANDXGHRPVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-9-5-6-13-11(7-9)14(17)15(21-13)16(20)18-12-4-2-3-10(12)8-19/h5-7,10,12,19H,2-4,8,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106367912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).