2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

C22H18ClF3N2O4S — CID 50928646

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18ClF3N2O4S/c1-13-10-14(2)28(21(30)20(13)33(31,32)16-6-4-3-5-7-16)12-19(29)27-18-9-8-15(23)11-17(18)22(24,25)26/h3-11H,12H2,1-2H3,(H,27,29)
InChIKeyJOJZNLCLPDLURX-UHFFFAOYSA-N
MW498.91 g/mol
LogP4.61
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 50928646) has the molecular formula C22H18ClF3N2O4S and a molecular weight of 498.91 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID50928646
Molecular FormulaC22H18ClF3N2O4S
Molecular Weight498.91 g/mol
Exact Mass498.06
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18ClF3N2O4S/c1-13-10-14(2)28(21(30)20(13)33(31,32)16-6-4-3-5-7-16)12-19(29)27-18-9-8-15(23)11-17(18)22(24,25)26/h3-11H,12H2,1-2H3,(H,27,29)
InChIKeyJOJZNLCLPDLURX-UHFFFAOYSA-N
XLogP4.61
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.91
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-fluorophenyl)acetamide
CID 53054682
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 53054653
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 42585737
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50928632
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 42585629
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989
2-[benzenesulfonyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 45372832
2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 53054739
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-(4-bromo-2-fluorophenyl)-2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]acetamide
CID 53043477
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486250
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide
CID 53024277

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (CID 50928646) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JOJZNLCLPDLURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O4S/c1-13-10-14(2)28(21(30)20(13)33(31,32)16-6-4-3-5-7-16)12-19(29)27-18-9-8-15(23)11-17(18)22(24,25)26/h3-11H,12H2,1-2H3,(H,27,29).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 498.91 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 50928646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).