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

C22H20F2N2O4S — CID 53002945

IUPACN-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)c(F)c3)c2=O)cc1
InChIInChI=1S/C22H20F2N2O4S/c1-13-4-7-17(8-5-13)31(29,30)21-14(2)10-15(3)26(22(21)28)12-20(27)25-16-6-9-18(23)19(24)11-16/h4-11H,12H2,1-3H3,(H,25,27)
InChIKeyOCUNIZMIHYSCNB-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.52
Rot. Bonds5

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

N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 53002945) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
PubChem CID53002945
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC NameN-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)c(F)c3)c2=O)cc1
InChIInChI=1S/C22H20F2N2O4S/c1-13-4-7-17(8-5-13)31(29,30)21-14(2)10-15(3)26(22(21)28)12-20(27)25-16-6-9-18(23)19(24)11-16/h4-11H,12H2,1-3H3,(H,25,27)
InChIKeyOCUNIZMIHYSCNB-UHFFFAOYSA-N
XLogP3.52
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9830006
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
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N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216
2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3244408
6-methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 11619625
N,N-Diethyl-2-[(3-fluoro-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 44580809
N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4968867
N-Ethyl-2-[(4-methylsulfanyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 653351
2-{(2-ethylphenyl)[(4-methylphenyl)sulfonyl]amino}-N-benzylacetamide
CID 1000070
1-[2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide (CID 53002945) is N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide is Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)c(F)c3)c2=O)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is OCUNIZMIHYSCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c1-13-4-7-17(8-5-13)31(29,30)21-14(2)10-15(3)26(22(21)28)12-20(27)25-16-6-9-18(23)19(24)11-16/h4-11H,12H2,1-3H3,(H,25,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 446.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53002945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).