2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide

C19H17ClN2O4S2 — CID 53054739

About 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide

2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide (PubChem CID 53054739) has the molecular formula C19H17ClN2O4S2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
• PubChem CID: 53054739
• Molecular Formula: C19H17ClN2O4S2
• Molecular Weight: 436.94 g/mol
• Exact Mass: 436.03
• IUPAC Name: 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
• SMILES: Cc1cc(C)n(CC(=O)Nc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C19H17ClN2O4S2/c1-12-10-13(2)22(11-16(23)21-14-6-4-3-5-7-14)19(24)18(12)28(25,26)17-9-8-15(20)27-17/h3-10H,11H2,1-2H3,(H,21,23)
• InChIKey: UYPSQVXARQHGET-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 85.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.94
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide?

The IUPAC name of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide (CID 53054739) is 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide.

What is the SMILES notation for 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide?

The canonical SMILES for 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide is Cc1cc(C)n(CC(=O)Nc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide?

The InChIKey is UYPSQVXARQHGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S2/c1-12-10-13(2)22(11-16(23)21-14-6-4-3-5-7-14)19(24)18(12)28(25,26)17-9-8-15(20)27-17/h3-10H,11H2,1-2H3,(H,21,23).

What are the key properties of 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide?

2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide has a molecular weight of 436.94 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide is sourced from PubChem (CID 53054739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).