2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide

C13H10F2N2O2S — CID 54580173

IUPAC2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2S/c14-8-2-1-7(10(15)6-8)5-11(18)17-13-9(12(16)19)3-4-20-13/h1-4,6H,5H2,(H2,16,19)(H,17,18)
InChIKeyZUOWCJWZQXQLAE-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.31
Rot. Bonds4

About 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 54580173) has the molecular formula C13H10F2N2O2S and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide
PubChem CID54580173
Molecular FormulaC13H10F2N2O2S
Molecular Weight296.30 g/mol
Exact Mass296.04
IUPAC Name2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O2S/c14-8-2-1-7(10(15)6-8)5-11(18)17-13-9(12(16)19)3-4-20-13/h1-4,6H,5H2,(H2,16,19)(H,17,18)
InChIKeyZUOWCJWZQXQLAE-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide (CID 54580173) is 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is ZUOWCJWZQXQLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2S/c14-8-2-1-7(10(15)6-8)5-11(18)17-13-9(12(16)19)3-4-20-13/h1-4,6H,5H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 54580173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).