5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid

C13H9F2NO4S — CID 43414513

IUPAC5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2OC(F)F)s1
InChIInChI=1S/C13H9F2NO4S/c14-13(15)20-8-4-2-1-3-7(8)16-11(17)9-5-6-10(21-9)12(18)19/h1-6,13H,(H,16,17)(H,18,19)
InChIKeySUMSFTMLNUOAPU-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.30
Rot. Bonds5

About 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid

5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 43414513) has the molecular formula C13H9F2NO4S and a molecular weight of 313.28 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID43414513
Molecular FormulaC13H9F2NO4S
Molecular Weight313.28 g/mol
Exact Mass313.02
IUPAC Name5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2OC(F)F)s1
InChIInChI=1S/C13H9F2NO4S/c14-13(15)20-8-4-2-1-3-7(8)16-11(17)9-5-6-10(21-9)12(18)19/h1-6,13H,(H,16,17)(H,18,19)
InChIKeySUMSFTMLNUOAPU-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

5-[[2-(difluoromethoxy)benzoyl]amino]thiophene-2-carboxylic acid
CID 43474824
N-[2-(difluoromethoxy)phenyl]-4-sulfanylthiophene-2-carboxamide
CID 107022248
N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-[2-(difluoromethoxy)phenyl]-5-phenylpyridine-3-carboxamide
CID 174627976
N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310218

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid (CID 43414513) is 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)Nc2ccccc2OC(F)F)s1.
What is the InChIKey of 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is SUMSFTMLNUOAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4S/c14-13(15)20-8-4-2-1-3-7(8)16-11(17)9-5-6-10(21-9)12(18)19/h1-6,13H,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid?
5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-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 5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43414513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).