2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide

C16H14N2O2S — CID 81395610

IUPAC2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C16H14N2O2S/c1-20-13-4-2-3-12(17)15(13)16(19)18-11-5-6-14-10(9-11)7-8-21-14/h2-9H,17H2,1H3,(H,18,19)
InChIKeyVMIZHJIXPXIVIH-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide

2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide (PubChem CID 81395610) 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)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
PubChem CID81395610
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C16H14N2O2S/c1-20-13-4-2-3-12(17)15(13)16(19)18-11-5-6-14-10(9-11)7-8-21-14/h2-9H,17H2,1H3,(H,18,19)
InChIKeyVMIZHJIXPXIVIH-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-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
CID 107802446
2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
CID 115412638
2-amino-6-methoxy-N-pyridin-4-ylbenzamide
CID 81410012
N-(1-benzothiophen-5-yl)-N'-[1-(2-methoxyphenyl)ethyl]oxamide
CID 56795686
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
3-amino-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65452569
N-(1-benzothiophen-5-yl)-3-hydroxy-2-methylbenzamide
CID 82829825
3-amino-N-(1-benzothiophen-5-yl)-4-bromobenzamide
CID 62057837
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
CID 114836825
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide (CID 81395610) is 2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of 2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide?
The InChIKey is VMIZHJIXPXIVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-13-4-2-3-12(17)15(13)16(19)18-11-5-6-14-10(9-11)7-8-21-14/h2-9H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(1-benzothiophen-5-yl)-6-methoxybenzamide?
2-amino-N-(1-benzothiophen-5-yl)-6-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)-6-methoxybenzamide is sourced from PubChem (CID 81395610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).