3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide

C16H20N2O2S — CID 81300971

IUPAC3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)NCC3CCCC3)sc2c1
InChIInChI=1S/C16H20N2O2S/c1-20-11-6-7-12-13(8-11)21-15(14(12)17)16(19)18-9-10-4-2-3-5-10/h6-8,10H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyLCRQYAWTGRWLML-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.41
Rot. Bonds4

About 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide

3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 81300971) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID81300971
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(N)c(C(=O)NCC3CCCC3)sc2c1
InChIInChI=1S/C16H20N2O2S/c1-20-11-6-7-12-13(8-11)21-15(14(12)17)16(19)18-9-10-4-2-3-5-10/h6-8,10H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyLCRQYAWTGRWLML-UHFFFAOYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-cyclopropylethyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81309556
3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 81301548
3-amino-6-bromo-N-(thian-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114908127
3-amino-6-bromo-N-(oxan-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 114907958
3-amino-6-methoxy-N-(thiophen-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81302164
3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 66007256
3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107298626
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301247
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 81301246
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 81300326

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide (CID 81300971) is 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(N)c(C(=O)NCC3CCCC3)sc2c1.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is LCRQYAWTGRWLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-20-11-6-7-12-13(8-11)21-15(14(12)17)16(19)18-9-10-4-2-3-5-10/h6-8,10H,2-5,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide?
3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopentylmethyl)-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81300971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).