N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C14H20N2O3S — CID 1076842

IUPACN-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCc1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-12-6-5-7-13(10-12)16(20(2,18)19)11-14(17)15-8-3-4-9-15/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyRVCPLAQAQVVREZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.38
Rot. Bonds4

About N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 1076842) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID1076842
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCc1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-12-6-5-7-13(10-12)16(20(2,18)19)11-14(17)15-8-3-4-9-15/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyRVCPLAQAQVVREZ-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 1076842) is N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is Cc1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is RVCPLAQAQVVREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-12-6-5-7-13(10-12)16(20(2,18)19)11-14(17)15-8-3-4-9-15/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 1076842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).