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

C13H9F2NO4S — CID 29272831

IUPAC2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1ccccc1OC(F)F
InChIInChI=1S/C13H9F2NO4S/c14-13(15)20-9-4-2-1-3-7(9)10(17)16-11-8(12(18)19)5-6-21-11/h1-6,13H,(H,16,17)(H,18,19)
InChIKeyRWPOAMCMSKZYPV-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.30
Rot. Bonds5

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

2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid (PubChem CID 29272831) has the molecular formula C13H9F2NO4S and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
PubChem CID29272831
Molecular FormulaC13H9F2NO4S
Molecular Weight313.28 g/mol
Exact Mass313.02
IUPAC Name2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1ccccc1OC(F)F
InChIInChI=1S/C13H9F2NO4S/c14-13(15)20-9-4-2-1-3-7(9)10(17)16-11-8(12(18)19)5-6-21-11/h1-6,13H,(H,16,17)(H,18,19)
InChIKeyRWPOAMCMSKZYPV-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

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Related Compounds

2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 43357329
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 28973919
5-[[2-(difluoromethoxy)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474824
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 8778786
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429728
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid (CID 29272831) is 2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)c1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is RWPOAMCMSKZYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4S/c14-13(15)20-9-4-2-1-3-7(9)10(17)16-11-8(12(18)19)5-6-21-11/h1-6,13H,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid?
2-[[2-(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-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 29272831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).