2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide

C16H14N2O2S — CID 115412638

IUPAC2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3sccc3c2)c(N)c1
InChIInChI=1S/C16H14N2O2S/c1-20-12-3-4-13(14(17)9-12)16(19)18-11-2-5-15-10(8-11)6-7-21-15/h2-9H,17H2,1H3,(H,18,19)
InChIKeyLSPGUUJOOMXXNE-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide

2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide (PubChem CID 115412638) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
PubChem CID115412638
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3sccc3c2)c(N)c1
InChIInChI=1S/C16H14N2O2S/c1-20-12-3-4-13(14(17)9-12)16(19)18-11-2-5-15-10(8-11)6-7-21-15/h2-9H,17H2,1H3,(H,18,19)
InChIKeyLSPGUUJOOMXXNE-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

2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
CID 81395610
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide
CID 110451636
2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 115412483
5-amino-N-(1-benzothiophen-5-yl)-2,3-dichlorobenzamide
CID 107185377
2-amino-4-(1-benzothiophen-5-ylamino)benzoic acid
CID 104500715

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide (CID 115412638) is 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3sccc3c2)c(N)c1.
What is the InChIKey of 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide?
The InChIKey is LSPGUUJOOMXXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-12-3-4-13(14(17)9-12)16(19)18-11-2-5-15-10(8-11)6-7-21-15/h2-9H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide?
2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide 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 2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide is sourced from PubChem (CID 115412638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).