N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide

C20H20N2O3S — CID 3231708

IUPACN-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H20N2O3S/c1-15-8-10-18(11-9-15)26(24,25)21-19-12-16(2)13-22(20(19)23)14-17-6-4-3-5-7-17/h3-13,21H,14H2,1-2H3
InChIKeySMEUEHWRXKXRGO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.31
Rot. Bonds5

About N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide

N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 3231708) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID3231708
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)cn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H20N2O3S/c1-15-8-10-18(11-9-15)26(24,25)21-19-12-16(2)13-22(20(19)23)14-17-6-4-3-5-7-17/h3-13,21H,14H2,1-2H3
InChIKeySMEUEHWRXKXRGO-UHFFFAOYSA-N
XLogP3.31
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 66553086
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374
N-benzyl-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162668326
2-(Benzenesulfonyl-benzyl-amino)-N-tert-butyl-acetamide
CID 2252317
N-[1-(3-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-methanesulfonamide
CID 6488665
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 57395449
N~2~-benzyl-N-methyl-N~2~-(phenylsulfonyl)glycinamide
CID 795181
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1316232
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N~2~-(2-fluorobenzyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~1~-propylglycinamide
CID 2188946
2-[benzenesulfonyl-(phenylmethyl)amino]-N-ethylacetamide
CID 2252415

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide (CID 3231708) is N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)cn(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is SMEUEHWRXKXRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-8-10-18(11-9-15)26(24,25)21-19-12-16(2)13-22(20(19)23)14-17-6-4-3-5-7-17/h3-13,21H,14H2,1-2H3.
What are the key properties of N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide?
N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3231708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).