2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide

C13H16N2O3S — CID 168708498

IUPAC2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(N2CC(S)CC2=O)c1
InChIInChI=1S/C13H16N2O3S/c1-18-8-12(16)14-9-3-2-4-10(5-9)15-7-11(19)6-13(15)17/h2-5,11,19H,6-8H2,1H3,(H,14,16)
InChIKeyBFYQFDZLJITISD-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.31
Rot. Bonds4

About 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide

2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide (PubChem CID 168708498) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide
PubChem CID168708498
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(N2CC(S)CC2=O)c1
InChIInChI=1S/C13H16N2O3S/c1-18-8-12(16)14-9-3-2-4-10(5-9)15-7-11(19)6-13(15)17/h2-5,11,19H,6-8H2,1H3,(H,14,16)
InChIKeyBFYQFDZLJITISD-UHFFFAOYSA-N
XLogP1.31
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxyacetamide
CID 168507417
5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
CID 50874012
methyl N-[3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659446
(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
CID 94076327
1-(4-fluoro-3-nitrophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43055957
(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid
CID 95121101
S-[[1-(3-acetamidophenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666389
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
tert-butyl N-[3-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]phenyl]carbamate
CID 168669594
1-(3-acetamidophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113189009
(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 94076368

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide (CID 168708498) is 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide is COCC(=O)Nc1cccc(N2CC(S)CC2=O)c1.
What is the InChIKey of 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is BFYQFDZLJITISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-8-12(16)14-9-3-2-4-10(5-9)15-7-11(19)6-13(15)17/h2-5,11,19H,6-8H2,1H3,(H,14,16).
What are the key properties of 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide?
2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 168708498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).