N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide

C13H16N2O3S — CID 168709975

IUPACN-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
SMILESO=C(NCCO)c1ccc(N2CC(S)CC2=O)cc1
InChIInChI=1S/C13H16N2O3S/c16-6-5-14-13(18)9-1-3-10(4-2-9)15-8-11(19)7-12(15)17/h1-4,11,16,19H,5-8H2,(H,14,18)
InChIKeyHYXLZDCBRTWVGM-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.44
Rot. Bonds4

About N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide

N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide (PubChem CID 168709975) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
PubChem CID168709975
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
SMILESO=C(NCCO)c1ccc(N2CC(S)CC2=O)cc1
InChIInChI=1S/C13H16N2O3S/c16-6-5-14-13(18)9-1-3-10(4-2-9)15-8-11(19)7-12(15)17/h1-4,11,16,19H,5-8H2,(H,14,18)
InChIKeyHYXLZDCBRTWVGM-UHFFFAOYSA-N
XLogP0.44
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691772
N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
CID 168708331
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
4-(4-amino-2-oxopyrrolidin-1-yl)-N-ethylbenzamide
CID 168699248
1-[4-(2-methoxyethoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708506
4-[4-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]butanoic acid
CID 168710489
1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708205
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 7548798
N-(2-hydroxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78845505
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide (CID 168709975) is N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide is O=C(NCCO)c1ccc(N2CC(S)CC2=O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide?
The InChIKey is HYXLZDCBRTWVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-6-5-14-13(18)9-1-3-10(4-2-9)15-8-11(19)7-12(15)17/h1-4,11,16,19H,5-8H2,(H,14,18).
What are the key properties of N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide?
N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide has a molecular weight of 280.35 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 168709975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).