2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide

C22H21ClN2O4S — CID 42585737

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1Cl
InChIInChI=1S/C22H21ClN2O4S/c1-14-9-10-17(12-19(14)23)24-20(26)13-25-16(3)11-15(2)21(22(25)27)30(28,29)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyAGHGZFYFGDSHMA-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.90
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 42585737) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID42585737
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1Cl
InChIInChI=1S/C22H21ClN2O4S/c1-14-9-10-17(12-19(14)23)24-20(26)13-25-16(3)11-15(2)21(22(25)27)30(28,29)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyAGHGZFYFGDSHMA-UHFFFAOYSA-N
XLogP3.90
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 42585629
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53054673
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 53054653
2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 53054739
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 50928646
2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
CID 53054682
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 53024289
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 27509020
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50928632
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide
CID 53024277
N-(4-acetylphenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53054747
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide (CID 42585737) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1Cl.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is AGHGZFYFGDSHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-14-9-10-17(12-19(14)23)24-20(26)13-25-16(3)11-15(2)21(22(25)27)30(28,29)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,24,26).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 444.94 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 42585737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).