2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide

C18H26N2O2S — CID 112759734

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C18H26N2O2S/c1-2-3-6-11-19-18(22)15-9-4-5-10-16(15)23-14-17(21)20-12-7-8-13-20/h4-5,9-10H,2-3,6-8,11-14H2,1H3,(H,19,22)
InChIKeyKDDGEUWCZPYPLH-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.32
Rot. Bonds8

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide (PubChem CID 112759734) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide
PubChem CID112759734
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C18H26N2O2S/c1-2-3-6-11-19-18(22)15-9-4-5-10-16(15)23-14-17(21)20-12-7-8-13-20/h4-5,9-10H,2-3,6-8,11-14H2,1H3,(H,19,22)
InChIKeyKDDGEUWCZPYPLH-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 47100068
N-(3-aminopropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide;hydrochloride
CID 119407692
N-[2-(ethylamino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 119507987
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
CID 4795071
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(2-phenylethyl)benzamide
CID 24817982
N-pentyl-2-propylsulfanylbenzamide
CID 17310366
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39713947
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39990130
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-phenylethyl)benzamide
CID 24980996
(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid
CID 119244244
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide (CID 112759734) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide is CCCCCNC(=O)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide?
The InChIKey is KDDGEUWCZPYPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-2-3-6-11-19-18(22)15-9-4-5-10-16(15)23-14-17(21)20-12-7-8-13-20/h4-5,9-10H,2-3,6-8,11-14H2,1H3,(H,19,22).
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide?
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide has a molecular weight of 334.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide is sourced from PubChem (CID 112759734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).