3-benzamido-4,5-dimethylthiophene-2-carboxylic acid

C14H13NO3S — CID 569948

IUPAC3-benzamido-4,5-dimethylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)c(NC(=O)c2ccccc2)c1C
InChIInChI=1S/C14H13NO3S/c1-8-9(2)19-12(14(17)18)11(8)15-13(16)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyNEKWUJPLWIJQBM-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.32
Rot. Bonds3

About 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid

3-benzamido-4,5-dimethylthiophene-2-carboxylic acid (PubChem CID 569948) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-benzamido-4,5-dimethylthiophene-2-carboxylic acid
PubChem CID569948
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-benzamido-4,5-dimethylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)c(NC(=O)c2ccccc2)c1C
InChIInChI=1S/C14H13NO3S/c1-8-9(2)19-12(14(17)18)11(8)15-13(16)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyNEKWUJPLWIJQBM-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyl-4,5-dimethylthiophene-2-carboxylic acid
CID 11821344
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851
N-[3-[(dimethylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 833808
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
CID 5158950
N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1034327
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 39161677
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-[3-[(R)-anilino(phenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 40684745
molecular hydrogen;N-phenylbenzamide
CID 145238042

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid?
The IUPAC name of 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid (CID 569948) is 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid?
The canonical SMILES for 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)c(NC(=O)c2ccccc2)c1C.
What is the InChIKey of 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid?
The InChIKey is NEKWUJPLWIJQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-8-9(2)19-12(14(17)18)11(8)15-13(16)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid?
3-benzamido-4,5-dimethylthiophene-2-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4,5-dimethylthiophene-2-carboxylic acid is sourced from PubChem (CID 569948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).