4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide

C19H22N2O3S — CID 53278552

IUPAC4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-4-10-18(11-5-15)25(23,24)20-13-16-6-8-17(9-7-16)14-21-12-2-3-19(21)22/h4-11,20H,2-3,12-14H2,1H3
InChIKeyBFPGFWXKNPKWJN-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.60
Rot. Bonds6

About 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide

4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 53278552) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
PubChem CID53278552
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-4-10-18(11-5-15)25(23,24)20-13-16-6-8-17(9-7-16)14-21-12-2-3-19(21)22/h4-11,20H,2-3,12-14H2,1H3
InChIKeyBFPGFWXKNPKWJN-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 99580883
1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
CID 87033069
1-tert-butyl-3,5-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-sulfonamide
CID 86937122
1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
CID 96568139
2-methyl-1-[(4-methylphenyl)methyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111245312
2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 24656982
3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 24656984
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30175293
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30215841

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide (CID 53278552) is 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is BFPGFWXKNPKWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-4-10-18(11-5-15)25(23,24)20-13-16-6-8-17(9-7-16)14-21-12-2-3-19(21)22/h4-11,20H,2-3,12-14H2,1H3.
What are the key properties of 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 53278552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).