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

C14H20N2O4S — CID 846662

IUPACN-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCOc1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O4S/c1-20-13-7-5-6-12(10-13)16(21(2,18)19)11-14(17)15-8-3-4-9-15/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyHKYZUWWEGMNUJT-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.08
Rot. Bonds5

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

N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 846662) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID846662
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCOc1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O4S/c1-20-13-7-5-6-12(10-13)16(21(2,18)19)11-14(17)15-8-3-4-9-15/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeyHKYZUWWEGMNUJT-UHFFFAOYSA-N
XLogP1.08
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 846662) is N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is COc1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is HKYZUWWEGMNUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13-7-5-6-12(10-13)16(21(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-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 846662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).