5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide

C16H14N2O2S — CID 61092431

IUPAC5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3cc(N)ccc3s2)c1
InChIInChI=1S/C16H14N2O2S/c1-20-13-4-2-3-12(9-13)18-16(19)15-8-10-7-11(17)5-6-14(10)21-15/h2-9H,17H2,1H3,(H,18,19)
InChIKeyMNJRJLSKKSDSJH-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.74
Rot. Bonds3

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

5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 61092431) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID61092431
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3cc(N)ccc3s2)c1
InChIInChI=1S/C16H14N2O2S/c1-20-13-4-2-3-12(9-13)18-16(19)15-8-10-7-11(17)5-6-14(10)21-15/h2-9H,17H2,1H3,(H,18,19)
InChIKeyMNJRJLSKKSDSJH-UHFFFAOYSA-N
XLogP3.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(5-amino-1-benzothiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 155017798
5-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 50810536
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
5-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 92670656
6-[(3-methoxyphenyl)carbamoylamino]-1-benzothiophene-2-carboxamide
CID 142717227
N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 8714146
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 61094116
3-amino-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 61090375

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide (CID 61092431) is 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide is COc1cccc(NC(=O)c2cc3cc(N)ccc3s2)c1.
What is the InChIKey of 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is MNJRJLSKKSDSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-13-4-2-3-12(9-13)18-16(19)15-8-10-7-11(17)5-6-14(10)21-15/h2-9H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61092431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).