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

C21H19ClN2O5S2 — CID 53054747

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

N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 53054747) has the molecular formula C21H19ClN2O5S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
• PubChem CID: 53054747
• Molecular Formula: C21H19ClN2O5S2
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.04
• IUPAC Name: N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
• SMILES: CC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc1
• InChI: InChI=1S/C21H19ClN2O5S2/c1-12-10-13(2)24(11-18(26)23-16-6-4-15(5-7-16)14(3)25)21(27)20(12)31(28,29)19-9-8-17(22)30-19/h4-10H,11H2,1-3H3,(H,23,26)
• InChIKey: ISRMONJXCYXTQK-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 102.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide (CID 53054747) is N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide.

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

The canonical SMILES for N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide is CC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc1.

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

The InChIKey is ISRMONJXCYXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5S2/c1-12-10-13(2)24(11-18(26)23-16-6-4-15(5-7-16)14(3)25)21(27)20(12)31(28,29)19-9-8-17(22)30-19/h4-10H,11H2,1-3H3,(H,23,26).

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

N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 478.98 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53054747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).