N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide

C14H20N2O3S — CID 2912269

IUPACN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide
SMILESCC(C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-12(14(17)15-10-6-7-11-15)16(20(2,18)19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyUTZCFPSGFIIETN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.46
Rot. Bonds4

About N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide (PubChem CID 2912269) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide
PubChem CID2912269
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide
SMILESCC(C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-12(14(17)15-10-6-7-11-15)16(20(2,18)19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyUTZCFPSGFIIETN-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2,6-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846700
N-(2,4-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846829
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CID 954246
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
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CID 1076842

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide?
The IUPAC name of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide (CID 2912269) is N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide?
The canonical SMILES for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide is CC(C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide?
The InChIKey is UTZCFPSGFIIETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12(14(17)15-10-6-7-11-15)16(20(2,18)19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3.
What are the key properties of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide?
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 2912269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).