2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide

C15H15NO4S2 — CID 11439130

IUPAC2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C15H15NO4S2/c1-10(15(18)16-22(2,19)20)12-8-9-13(21-12)14(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,18)
InChIKeyGKIGXHODLMXNLK-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.16
Rot. Bonds5

About 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide

2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide (PubChem CID 11439130) has the molecular formula C15H15NO4S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide
PubChem CID11439130
Molecular FormulaC15H15NO4S2
Molecular Weight337.42 g/mol
Exact Mass337.04
IUPAC Name2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C15H15NO4S2/c1-10(15(18)16-22(2,19)20)12-8-9-13(21-12)14(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,18)
InChIKeyGKIGXHODLMXNLK-UHFFFAOYSA-N
XLogP2.16
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide?
The IUPAC name of 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide (CID 11439130) is 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide?
The canonical SMILES for 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide is CC(C(=O)NS(C)(=O)=O)c1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide?
The InChIKey is GKIGXHODLMXNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S2/c1-10(15(18)16-22(2,19)20)12-8-9-13(21-12)14(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,18).
What are the key properties of 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide?
2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzoylthiophen-2-yl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 11439130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).