2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide

C13H11ClN2O2S — CID 1246652

IUPAC2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-11(17)16-13-9(12(15)18)5-6-19-13/h1-6H,7H2,(H2,15,18)(H,16,17)
InChIKeyWNLBIMPLTJDLBE-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.68
Rot. Bonds4

About 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 1246652) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide
PubChem CID1246652
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-11(17)16-13-9(12(15)18)5-6-19-13/h1-6H,7H2,(H2,15,18)(H,16,17)
InChIKeyWNLBIMPLTJDLBE-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide (CID 1246652) is 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is WNLBIMPLTJDLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-11(17)16-13-9(12(15)18)5-6-19-13/h1-6H,7H2,(H2,15,18)(H,16,17).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 1246652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).