2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid

C13H9F2NO4S — CID 28973919

IUPAC2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H9F2NO4S/c14-13(15)20-8-3-1-2-7(6-8)10(17)16-11-9(12(18)19)4-5-21-11/h1-6,13H,(H,16,17)(H,18,19)
InChIKeyKAMMSWCBZCWLLT-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.30
Rot. Bonds5

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

2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid (PubChem CID 28973919) has the molecular formula C13H9F2NO4S and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
PubChem CID28973919
Molecular FormulaC13H9F2NO4S
Molecular Weight313.28 g/mol
Exact Mass313.02
IUPAC Name2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H9F2NO4S/c14-13(15)20-8-3-1-2-7(6-8)10(17)16-11-9(12(18)19)4-5-21-11/h1-6,13H,(H,16,17)(H,18,19)
InChIKeyKAMMSWCBZCWLLT-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
CID 60858679
2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171537
2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 29272831
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-[[3-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
CID 104820521
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid (CID 28973919) is 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is KAMMSWCBZCWLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4S/c14-13(15)20-8-3-1-2-7(6-8)10(17)16-11-9(12(18)19)4-5-21-11/h1-6,13H,(H,16,17)(H,18,19).
What are the key properties of 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid?
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 313.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 28973919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).