N-phenacylthiophene-2-carboxamide

C13H11NO2S — CID 835698

IUPACN-phenacylthiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h1-8H,9H2,(H,14,16)
InChIKeyXFLBAVJUSKEXKB-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.36
Rot. Bonds4

About N-phenacylthiophene-2-carboxamide

N-phenacylthiophene-2-carboxamide (PubChem CID 835698) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-phenacylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-phenacylthiophene-2-carboxamide
PubChem CID835698
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC NameN-phenacylthiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H11NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h1-8H,9H2,(H,14,16)
InChIKeyXFLBAVJUSKEXKB-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenacylthiophene-2-carboxamide?
The IUPAC name of N-phenacylthiophene-2-carboxamide (CID 835698) is N-phenacylthiophene-2-carboxamide.
What is the SMILES notation for N-phenacylthiophene-2-carboxamide?
The canonical SMILES for N-phenacylthiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-phenacylthiophene-2-carboxamide?
The InChIKey is XFLBAVJUSKEXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h1-8H,9H2,(H,14,16).
What are the key properties of N-phenacylthiophene-2-carboxamide?
N-phenacylthiophene-2-carboxamide has a molecular weight of 245.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenacylthiophene-2-carboxamide is sourced from PubChem (CID 835698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).