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

C16H20N2O2S — CID 107932329

IUPAC3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCOC1CCCC1NC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C16H20N2O2S/c1-9-6-7-13-10(8-9)14(17)15(21-13)16(19)18-11-4-3-5-12(11)20-2/h6-8,11-12H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyPIUCAZNFVOKZDR-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.09
Rot. Bonds3

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

3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107932329) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide
PubChem CID107932329
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide
SMILESCOC1CCCC1NC(=O)c1sc2ccc(C)cc2c1N
InChIInChI=1S/C16H20N2O2S/c1-9-6-7-13-10(8-9)14(17)15(21-13)16(19)18-11-4-3-5-12(11)20-2/h6-8,11-12H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyPIUCAZNFVOKZDR-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896565
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 106367912
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
3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
CID 107932536
3-amino-5-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 107932373
(3-amino-5-methyl-1-benzothiophen-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 107932607
3-amino-N-(1-methoxy-2-methylpropan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932523
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107932303
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide (CID 107932329) is 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide is COC1CCCC1NC(=O)c1sc2ccc(C)cc2c1N.
What is the InChIKey of 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is PIUCAZNFVOKZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-9-6-7-13-10(8-9)14(17)15(21-13)16(19)18-11-4-3-5-12(11)20-2/h6-8,11-12H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).