2-benzamido-N-methylthiophene-3-carboxamide

C13H12N2O2S — CID 5309978

IUPAC2-benzamido-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c1-14-12(17)10-7-8-18-13(10)15-11(16)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,17)(H,15,16)
InChIKeyJPNMQJFTAFUPFW-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.36
Rot. Bonds3

About 2-benzamido-N-methylthiophene-3-carboxamide

2-benzamido-N-methylthiophene-3-carboxamide (PubChem CID 5309978) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-benzamido-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-methylthiophene-3-carboxamide
PubChem CID5309978
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-benzamido-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c1-14-12(17)10-7-8-18-13(10)15-11(16)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,17)(H,15,16)
InChIKeyJPNMQJFTAFUPFW-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-benzamido-N-methylthiophene-3-carboxamide (CID 5309978) is 2-benzamido-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-benzamido-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-benzamido-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-methylthiophene-3-carboxamide?
The InChIKey is JPNMQJFTAFUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-14-12(17)10-7-8-18-13(10)15-11(16)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-benzamido-N-methylthiophene-3-carboxamide?
2-benzamido-N-methylthiophene-3-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 5309978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).