2-benzamido-5-ethylthiophene-3-carboxylic acid

C14H13NO3S — CID 867595

IUPAC2-benzamido-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C14H13NO3S/c1-2-10-8-11(14(17)18)13(19-10)15-12(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyYQSMKWKWMFBYGS-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.26
Rot. Bonds4

About 2-benzamido-5-ethylthiophene-3-carboxylic acid

2-benzamido-5-ethylthiophene-3-carboxylic acid (PubChem CID 867595) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-benzamido-5-ethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-benzamido-5-ethylthiophene-3-carboxylic acid
PubChem CID867595
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-benzamido-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C14H13NO3S/c1-2-10-8-11(14(17)18)13(19-10)15-12(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyYQSMKWKWMFBYGS-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-3-carboxylic acid
CID 1177253
2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 540569
2-(Thiophene-2-amido)benzoic acid
CID 643302
2-(3-Phenyl-thiophen-2-ylcarbamoyl)-cyclopent-1-enecarboxylic acid
CID 73442650
2-Benzamido-5-phenylthiophene-3-carboxylic acid
CID 709215
2-[(3-Methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 747204
2-benzamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 755449
2-(2,2-Dimethyl-propionylamino)-5-phenyl-thiophene-3-carboxylic acid
CID 762466
2-(4-Fluoro-benzoylamino)-4-phenyl-thiophene-3-carboxylic acid
CID 829695
2-(4-Fluorobenzamido)-4-(p-tolyl)thiophene-3-carboxylic acid
CID 1353686
2-(N-methylthiophene-2-amido)benzoic acid
CID 750789
2-Amino-5-phenyl-thiophene-3-carboxylic acid
CID 724916

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-5-ethylthiophene-3-carboxylic acid?
The IUPAC name of 2-benzamido-5-ethylthiophene-3-carboxylic acid (CID 867595) is 2-benzamido-5-ethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-benzamido-5-ethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-benzamido-5-ethylthiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of 2-benzamido-5-ethylthiophene-3-carboxylic acid?
The InChIKey is YQSMKWKWMFBYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-2-10-8-11(14(17)18)13(19-10)15-12(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-benzamido-5-ethylthiophene-3-carboxylic acid?
2-benzamido-5-ethylthiophene-3-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-5-ethylthiophene-3-carboxylic acid is sourced from PubChem (CID 867595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).