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

C23H24N2O4S — CID 42585476

IUPACN-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-16-9-11-20(12-10-16)30(28,29)22-17(2)13-18(3)25(23(22)27)15-21(26)24-14-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3,(H,24,26)
InChIKeyNDBJTRJOHPRFOX-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.92
Rot. Bonds6

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

N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 42585476) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
PubChem CID42585476
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1
InChIInChI=1S/C23H24N2O4S/c1-16-9-11-20(12-10-16)30(28,29)22-17(2)13-18(3)25(23(22)27)15-21(26)24-14-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3,(H,24,26)
InChIKeyNDBJTRJOHPRFOX-UHFFFAOYSA-N
XLogP2.92
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-phenyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 4638335
N-benzyl-2-tosylacetamide
CID 6460081
N-benzyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759101
N-[4-(benzylamino)-2-oxo-2H-thiochromen-3-yl]acetamide
CID 768407
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
2-[benzenesulfonyl-(phenylmethyl)amino]-N-ethylacetamide
CID 2252415
N-(1-Benzyl-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl)-4-methyl-benzenesulfonamide
CID 3231708
N-[1-(4-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-4-methyl-benzenesulfonamide
CID 3231716
N-benzyl-N'-(2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethyl)ethanediamide
CID 3356142
3-(benzenesulfonyl)-N-[2-(dimethylamino)-2-phenylethyl]propanamide
CID 3476149
2-(3-Benzenesulfonylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10437166
N1-benzyl-N2-(2-(1-tosylpiperidin-2-yl)ethyl)oxalamide
CID 16829693

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide (CID 42585476) is N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-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)NCc3ccccc3)c2=O)cc1.
What is the InChIKey of N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is NDBJTRJOHPRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16-9-11-20(12-10-16)30(28,29)22-17(2)13-18(3)25(23(22)27)15-21(26)24-14-19-7-5-4-6-8-19/h4-13H,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide?
N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 42585476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).