benzamide;1-benzothiophene-2-carboxylic acid

C16H13NO3S — CID 158859851

IUPACbenzamide;1-benzothiophene-2-carboxylic acid
SMILESNC(=O)c1ccccc1.O=C(O)c1cc2ccccc2s1
InChIInChI=1S/C9H6O2S.C7H7NO/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-7(9)6-4-2-1-3-5-6/h1-5H,(H,10,11);1-5H,(H2,8,9)
InChIKeyJANFVBWZPPHVJB-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.38
Rot. Bonds2

About benzamide;1-benzothiophene-2-carboxylic acid

benzamide;1-benzothiophene-2-carboxylic acid (PubChem CID 158859851) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is benzamide;1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Namebenzamide;1-benzothiophene-2-carboxylic acid
PubChem CID158859851
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Namebenzamide;1-benzothiophene-2-carboxylic acid
SMILESNC(=O)c1ccccc1.O=C(O)c1cc2ccccc2s1
InChIInChI=1S/C9H6O2S.C7H7NO/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-7(9)6-4-2-1-3-5-6/h1-5H,(H,10,11);1-5H,(H2,8,9)
InChIKeyJANFVBWZPPHVJB-UHFFFAOYSA-N
XLogP3.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-benzothiophene-2-carbothioamide
CID 15166169
thieno[2,3-f][1]benzothiole-2,6-dicarboxylic acid
CID 139034065
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
benzamide;ethene
CID 143479548
N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride
CID 22097845
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
N'-hydroxy-1-benzothiophene-2-carboximidamide
CID 6161317

Frequently Asked Questions

What is the IUPAC name of benzamide;1-benzothiophene-2-carboxylic acid?
The IUPAC name of benzamide;1-benzothiophene-2-carboxylic acid (CID 158859851) is benzamide;1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for benzamide;1-benzothiophene-2-carboxylic acid?
The canonical SMILES for benzamide;1-benzothiophene-2-carboxylic acid is NC(=O)c1ccccc1.O=C(O)c1cc2ccccc2s1.
What is the InChIKey of benzamide;1-benzothiophene-2-carboxylic acid?
The InChIKey is JANFVBWZPPHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2S.C7H7NO/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;8-7(9)6-4-2-1-3-5-6/h1-5H,(H,10,11);1-5H,(H2,8,9).
What are the key properties of benzamide;1-benzothiophene-2-carboxylic acid?
benzamide;1-benzothiophene-2-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 158859851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).