2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide

C24H26N2O5S — CID 42585475

IUPAC2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C24H26N2O5S/c1-15-6-9-19(10-7-15)32(29,30)23-17(3)13-18(4)26(24(23)28)14-22(27)25-20-12-16(2)8-11-21(20)31-5/h6-13H,14H2,1-5H3,(H,25,27)
InChIKeyGQIDLTYQGWHUSX-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.56
Rot. Bonds6

About 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 42585475) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID42585475
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C24H26N2O5S/c1-15-6-9-19(10-7-15)32(29,30)23-17(3)13-18(4)26(24(23)28)14-22(27)25-20-12-16(2)8-11-21(20)31-5/h6-13H,14H2,1-5H3,(H,25,27)
InChIKeyGQIDLTYQGWHUSX-UHFFFAOYSA-N
XLogP3.56
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 42585475) is 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(C)cc2)c1=O.
What is the InChIKey of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is GQIDLTYQGWHUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-15-6-9-19(10-7-15)32(29,30)23-17(3)13-18(4)26(24(23)28)14-22(27)25-20-12-16(2)8-11-21(20)31-5/h6-13H,14H2,1-5H3,(H,25,27).
What are the key properties of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 42585475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).