N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide

C18H20N2O3S — CID 47083121

IUPACN-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide
SMILESO=C1C(NS(=O)(=O)Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18-17(11-12-20(18)13-15-7-3-1-4-8-15)19-24(22,23)14-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKeyMVVPUNNBJUWKHN-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.91
Rot. Bonds6

About N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide

N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide (PubChem CID 47083121) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide
PubChem CID47083121
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide
SMILESO=C1C(NS(=O)(=O)Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18-17(11-12-20(18)13-15-7-3-1-4-8-15)19-24(22,23)14-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKeyMVVPUNNBJUWKHN-UHFFFAOYSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 94799079
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenoxybenzenesulfonamide
CID 10789587
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
N-[(4-aminocyclohexyl)methyl]-2-[3-(benzylsulfonylamino)-2-oxoazepan-1-yl]acetamide
CID 22985418
2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid
CID 10688512
1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea
CID 125138278

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide (CID 47083121) is N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide is O=C1C(NS(=O)(=O)Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide?
The InChIKey is MVVPUNNBJUWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18-17(11-12-20(18)13-15-7-3-1-4-8-15)19-24(22,23)14-16-9-5-2-6-10-16/h1-10,17,19H,11-14H2.
What are the key properties of N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide?
N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 47083121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).