2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide

C23H23BrN2O4S — CID 53004543

IUPAC2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-16-14-17(2)26(15-21(27)25-13-12-18-6-4-3-5-7-18)23(28)22(16)31(29,30)20-10-8-19(24)9-11-20/h3-11,14H,12-13,15H2,1-2H3,(H,25,27)
InChIKeyQCZWTODJGCSPBW-UHFFFAOYSA-N
MW503.42 g/mol
LogP3.42
Rot. Bonds7

About 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide

2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide (PubChem CID 53004543) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide
PubChem CID53004543
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-16-14-17(2)26(15-21(27)25-13-12-18-6-4-3-5-7-18)23(28)22(16)31(29,30)20-10-8-19(24)9-11-20/h3-11,14H,12-13,15H2,1-2H3,(H,25,27)
InChIKeyQCZWTODJGCSPBW-UHFFFAOYSA-N
XLogP3.42
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide (CID 53004543) is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide is Cc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide?
The InChIKey is QCZWTODJGCSPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/c1-16-14-17(2)26(15-21(27)25-13-12-18-6-4-3-5-7-18)23(28)22(16)31(29,30)20-10-8-19(24)9-11-20/h3-11,14H,12-13,15H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide?
2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide has a molecular weight of 503.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 53004543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).