2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid

C14H12N2O4S — CID 43171537

IUPAC2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
SMILESCC(=O)Nc1cccc(C(=O)Nc2sccc2C(=O)O)c1
InChIInChI=1S/C14H12N2O4S/c1-8(17)15-10-4-2-3-9(7-10)12(18)16-13-11(14(19)20)5-6-21-13/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyJYOUQBSOHPZJFK-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.66
Rot. Bonds4

About 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid

2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 43171537) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID43171537
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
SMILESCC(=O)Nc1cccc(C(=O)Nc2sccc2C(=O)O)c1
InChIInChI=1S/C14H12N2O4S/c1-8(17)15-10-4-2-3-9(7-10)12(18)16-13-11(14(19)20)5-6-21-13/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyJYOUQBSOHPZJFK-UHFFFAOYSA-N
XLogP2.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
CID 60858679
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 28973919
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
2-acetamido-N-phenylthiophene-3-carboxamide
CID 901593
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
2-[(3-acetamidobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 28859200
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921362
6-[[3-[(3-acetylphenyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17377605
cis-(1S,2R)-2-[[3-[(3-acetylphenyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27524898
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid (CID 43171537) is 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid is CC(=O)Nc1cccc(C(=O)Nc2sccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is JYOUQBSOHPZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-8(17)15-10-4-2-3-9(7-10)12(18)16-13-11(14(19)20)5-6-21-13/h2-7H,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid?
2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 304.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43171537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).