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

C21H25BrN2O4S — CID 53004542

IUPAC2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCCC2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H25BrN2O4S/c1-14-12-15(2)24(13-19(25)23-17-6-4-3-5-7-17)21(26)20(14)29(27,28)18-10-8-16(22)9-11-18/h8-12,17H,3-7,13H2,1-2H3,(H,23,25)
InChIKeyAIJWHCGGZVRFDB-UHFFFAOYSA-N
MW481.41 g/mol
LogP3.51
Rot. Bonds5

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

2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide (PubChem CID 53004542) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
PubChem CID53004542
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCCC2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H25BrN2O4S/c1-14-12-15(2)24(13-19(25)23-17-6-4-3-5-7-17)21(26)20(14)29(27,28)18-10-8-16(22)9-11-18/h8-12,17H,3-7,13H2,1-2H3,(H,23,25)
InChIKeyAIJWHCGGZVRFDB-UHFFFAOYSA-N
XLogP3.51
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]propanamide
CID 9550772
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-prop-2-enylacetamide
CID 2291257
N~2~-[(4-bromophenyl)sulfonyl]-N-cyclohexyl-N~2~-ethylglycinamide
CID 2234337
2-(3-((4-bromophenyl)sulfonyl)-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-(4-fluorobenzyl)acetamide
CID 49668397
2-[3-(4-Bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-(4-fluorophenyl)acetamide
CID 53004540
2-(3-((4-bromophenyl)sulfonyl)-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-(3-fluorophenyl)acetamide
CID 49668376
2-[3-(4-Bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-(2,4-difluorophenyl)acetamide
CID 53054727
2-[3-(4-Bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-(2-fluorophenyl)acetamide
CID 53054728
2-[3-(4-Bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-(2,5-difluorophenyl)acetamide
CID 53054730
2-(4-bromophenyl)sulfonyl-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 56371317
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-cyclohexyl-N~1~-propylglycinamide
CID 2189203
2-(3-((4-bromophenyl)sulfonyl)-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-phenylacetamide
CID 49668371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide (CID 53004542) is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide is Cc1cc(C)n(CC(=O)NC2CCCCC2)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-cyclohexylacetamide?
The InChIKey is AIJWHCGGZVRFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-14-12-15(2)24(13-19(25)23-17-6-4-3-5-7-17)21(26)20(14)29(27,28)18-10-8-16(22)9-11-18/h8-12,17H,3-7,13H2,1-2H3,(H,23,25).
What are the key properties of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide?
2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclohexylacetamide has a molecular weight of 481.41 g/mol, XLogP of 3.51, 5 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-cyclohexylacetamide is sourced from PubChem (CID 53004542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).