2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide

C14H18N2O2S — CID 60605411

IUPAC2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18N2O2S/c15-13(17)9-19-10-14(18)16-7-6-12(8-16)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,17)
InChIKeyGHUPVCRNZLKJRZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide

2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide (PubChem CID 60605411) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
PubChem CID60605411
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H18N2O2S/c15-13(17)9-19-10-14(18)16-7-6-12(8-16)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,17)
InChIKeyGHUPVCRNZLKJRZ-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylacetic acid
CID 104569524
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 126796221
2-benzylsulfanyl-1-(3-phenylazepan-1-yl)ethanone
CID 90608480
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 95592150
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
2-oxo-2-(3-phenylpyrrolidin-1-yl)acetohydrazide
CID 62133796

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide?
The IUPAC name of 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide (CID 60605411) is 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide is NC(=O)CSCC(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide?
The InChIKey is GHUPVCRNZLKJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-13(17)9-19-10-14(18)16-7-6-12(8-16)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,17).
What are the key properties of 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide?
2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide has a molecular weight of 278.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 60605411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).