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

C23H24N2O4S — CID 27542826

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1C
InChIInChI=1S/C23H24N2O4S/c1-15-9-8-12-20(18(15)4)24-21(26)14-25-17(3)13-16(2)22(23(25)27)30(28,29)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyPLYHFVLZXTVTSN-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.55
Rot. Bonds5

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

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 27542826) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID27542826
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1C
InChIInChI=1S/C23H24N2O4S/c1-15-9-8-12-20(18(15)4)24-21(26)14-25-17(3)13-16(2)22(23(25)27)30(28,29)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyPLYHFVLZXTVTSN-UHFFFAOYSA-N
XLogP3.55
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

TG2-IN-3h
CID 73775533
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
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N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)benzenesulfonamido]acetamide
CID 1141975
N-(2-Methylpropyl)-2-[N-(2-phenylethyl)4-methylbenzenesulfonamido]acetamide
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CID 1308148
Cambridge id 6760977
CID 1316073
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 1316829
2-[N-(2,3-Dimethylphenyl)benzenesulfonamido]-N-[(4-methylphenyl)methyl]acetamide
CID 1334007
Cambridge id 7128099
CID 2175049
2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
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CID 4155260

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide (CID 27542826) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1C.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is PLYHFVLZXTVTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-9-8-12-20(18(15)4)24-21(26)14-25-17(3)13-16(2)22(23(25)27)30(28,29)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3,(H,24,26).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.55, 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-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 27542826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).