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

C20H23BrN2O4S — CID 53004544

IUPAC2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCC2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O4S/c1-13-11-14(2)23(12-18(24)22-16-5-3-4-6-16)20(25)19(13)28(26,27)17-9-7-15(21)8-10-17/h7-11,16H,3-6,12H2,1-2H3,(H,22,24)
InChIKeyKVCPQYWNGVDQSB-UHFFFAOYSA-N
MW467.39 g/mol
LogP3.12
Rot. Bonds5

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

2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide (PubChem CID 53004544) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
PubChem CID53004544
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC Name2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCC2)c(=O)c1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O4S/c1-13-11-14(2)23(12-18(24)22-16-5-3-4-6-16)20(25)19(13)28(26,27)17-9-7-15(21)8-10-17/h7-11,16H,3-6,12H2,1-2H3,(H,22,24)
InChIKeyKVCPQYWNGVDQSB-UHFFFAOYSA-N
XLogP3.12
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 53.12
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-(3-((4-bromophenyl)sulfonyl)-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-(4-fluorobenzyl)acetamide
CID 49668397
2-(4-bromophenyl)sulfonyl-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 56371317
2-(3-((4-bromophenyl)sulfonyl)-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-phenylacetamide
CID 49668371
N-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]propanamide
CID 51130060
N-Benzyl-2-[3-(4-bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]acetamide
CID 53004541
2-[3-(4-Bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-cyclohexylacetamide
CID 53004542
2-[3-(4-Bromobenzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-(2-phenylethyl)acetamide
CID 53004543
2-[3-(4-Bromobenzenesulfonyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-cyclopentylacetamide
CID 53006771
3-(4-Bromophenyl)sulfonyl-1-(4-cyclopentylpiperazin-4-ium-1-yl)propan-1-one
CID 4089359
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylbutanamide
CID 27170126
2-[3-(Benzenesulfonyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-YL]-N-cyclopentylacetamide
CID 27476822

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide (CID 53004544) is 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide is Cc1cc(C)n(CC(=O)NC2CCCC2)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-cyclopentylacetamide?
The InChIKey is KVCPQYWNGVDQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-13-11-14(2)23(12-18(24)22-16-5-3-4-6-16)20(25)19(13)28(26,27)17-9-7-15(21)8-10-17/h7-11,16H,3-6,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide?
2-[3-(4-bromophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide has a molecular weight of 467.39 g/mol, XLogP of 3.12, 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-cyclopentylacetamide is sourced from PubChem (CID 53004544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).