N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C15H22N2O3S — CID 887071

IUPACN-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCCc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-13-6-8-14(9-7-13)17(21(2,19)20)12-15(18)16-10-4-5-11-16/h6-9H,3-5,10-12H2,1-2H3
InChIKeyJSRLVKWLTCRSRL-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.64
Rot. Bonds5

About N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 887071) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID887071
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCCc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-13-6-8-14(9-7-13)17(21(2,19)20)12-15(18)16-10-4-5-11-16/h6-9H,3-5,10-12H2,1-2H3
InChIKeyJSRLVKWLTCRSRL-UHFFFAOYSA-N
XLogP1.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 887071) is N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CCc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is JSRLVKWLTCRSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-13-6-8-14(9-7-13)17(21(2,19)20)12-15(18)16-10-4-5-11-16/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 887071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).