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

C20H22N2O3S — CID 167821614

IUPACN-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-2-26(24,25)21-14-18-6-3-4-7-19(18)17-11-9-16(10-12-17)15-22-13-5-8-20(22)23/h2-4,6-7,9-12,21H,1,5,8,13-15H2
InChIKeyBQDYXAFTHPDSRL-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.04
Rot. Bonds7

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

N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide (PubChem CID 167821614) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide
PubChem CID167821614
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-2-26(24,25)21-14-18-6-3-4-7-19(18)17-11-9-16(10-12-17)15-22-13-5-8-20(22)23/h2-4,6-7,9-12,21H,1,5,8,13-15H2
InChIKeyBQDYXAFTHPDSRL-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide
CID 24677975
2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
CID 47020894
1-[[4-[2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]phenyl]phenyl]methyl]pyrrolidin-2-one
CID 51113304
1-[[2-[(benzylsulfamoylamino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 56903516
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
CID 87033069
1-[[4-[[[ethyl(methyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
CID 96568139
1-[[2-[[[methyl(propyl)sulfamoyl]amino]methyl]phenyl]methyl]-2-oxopyrrolidine
CID 99578760
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 34108495

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide?
The IUPAC name of N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide (CID 167821614) is N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide is C=CS(=O)(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide?
The InChIKey is BQDYXAFTHPDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-2-26(24,25)21-14-18-6-3-4-7-19(18)17-11-9-16(10-12-17)15-22-13-5-8-20(22)23/h2-4,6-7,9-12,21H,1,5,8,13-15H2.
What are the key properties of N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide?
N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide is sourced from PubChem (CID 167821614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).