N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

C15H20N2O2S — CID 47100068

IUPACN-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCCNC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C15H20N2O2S/c1-2-16-15(19)12-7-3-4-8-13(12)20-11-14(18)17-9-5-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,19)
InChIKeyGZYYNWLNZKNJHG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (PubChem CID 47100068) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
PubChem CID47100068
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCCNC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C15H20N2O2S/c1-2-16-15(19)12-7-3-4-8-13(12)20-11-14(18)17-9-5-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,19)
InChIKeyGZYYNWLNZKNJHG-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 119507987
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide
CID 112759734
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(2-phenylethyl)benzamide
CID 24817982
N-(3-aminopropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide;hydrochloride
CID 119407692
(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid
CID 119244244
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-phenylethyl)benzamide
CID 24980996
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
CID 4795071
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39713947
2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43351408
N-(2,3-dimethylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 8714275
N-(2-ethyl-6-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 8761765
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The IUPAC name of N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (CID 47100068) is N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.
What is the SMILES notation for N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The canonical SMILES for N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is CCNC(=O)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The InChIKey is GZYYNWLNZKNJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-16-15(19)12-7-3-4-8-13(12)20-11-14(18)17-9-5-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,16,19).
What are the key properties of N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide has a molecular weight of 292.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 47100068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).