3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide

C14H16N2OS — CID 107113001

IUPAC3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NC3CC3C)sc12
InChIInChI=1S/C14H16N2OS/c1-7-4-3-5-9-11(15)13(18-12(7)9)14(17)16-10-6-8(10)2/h3-5,8,10H,6,15H2,1-2H3,(H,16,17)
InChIKeyGMLFRQCGJGISPB-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.93
Rot. Bonds2

About 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide

3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide (PubChem CID 107113001) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
PubChem CID107113001
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NC3CC3C)sc12
InChIInChI=1S/C14H16N2OS/c1-7-4-3-5-9-11(15)13(18-12(7)9)14(17)16-10-6-8(10)2/h3-5,8,10H,6,15H2,1-2H3,(H,16,17)
InChIKeyGMLFRQCGJGISPB-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-N-cyclohex-3-en-1-yl-7-methyl-1-benzothiophene-2-carboxamide
CID 107113235
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840
3-amino-N-(1-amino-1-oxopropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112859
3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113207
3-amino-N-(1-cyclopropylpropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113119
3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide
CID 107113606
3-amino-N-(4-chlorophenyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112776
3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide
CID 107112763
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 107113136
3-amino-N-(4-hydroxybutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113474
(3-amino-7-methyl-1-benzothiophen-2-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 107112800

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide (CID 107113001) is 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)NC3CC3C)sc12.
What is the InChIKey of 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is GMLFRQCGJGISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-7-4-3-5-9-11(15)13(18-12(7)9)14(17)16-10-6-8(10)2/h3-5,8,10H,6,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide?
3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107113001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).