N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

C15H22N2O3S — CID 3158631

IUPACN-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-6-8-14(9-7-12)17(21(3,19)20)13(2)15(18)16-10-4-5-11-16/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeySVFFKNRJYNOLBR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.77
Rot. Bonds4

About N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide

N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 3158631) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
PubChem CID3158631
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
SMILESCc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-6-8-14(9-7-12)17(21(3,19)20)13(2)15(18)16-10-4-5-11-16/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeySVFFKNRJYNOLBR-UHFFFAOYSA-N
XLogP1.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide (CID 3158631) is N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is Cc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is SVFFKNRJYNOLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-6-8-14(9-7-12)17(21(3,19)20)13(2)15(18)16-10-4-5-11-16/h6-9,13H,4-5,10-11H2,1-3H3.
What are the key properties of N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide?
N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 3158631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).