N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C15H22N2O5S — CID 846544

IUPACN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O5S/c1-21-12-6-7-14(22-2)13(10-12)17(23(3,19)20)11-15(18)16-8-4-5-9-16/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyDUDKRIJPZFKPFO-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.09
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 846544) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID846544
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O5S/c1-21-12-6-7-14(22-2)13(10-12)17(23(3,19)20)11-15(18)16-8-4-5-9-16/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyDUDKRIJPZFKPFO-UHFFFAOYSA-N
XLogP1.09
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 846544) is N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is COc1ccc(OC)c(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is DUDKRIJPZFKPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-12-6-7-14(22-2)13(10-12)17(23(3,19)20)11-15(18)16-8-4-5-9-16/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 846544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).