2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide

C20H23N3O2S — CID 78775763

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccncc1
InChIInChI=1S/C20H23N3O2S/c1-15(16-8-10-21-11-9-16)22-20(25)17-6-2-3-7-18(17)26-14-19(24)23-12-4-5-13-23/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,22,25)
InChIKeyRJZYADRJKIMQDT-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.29
Rot. Bonds6

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 78775763) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID78775763
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccncc1
InChIInChI=1S/C20H23N3O2S/c1-15(16-8-10-21-11-9-16)22-20(25)17-6-2-3-7-18(17)26-14-19(24)23-12-4-5-13-23/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,22,25)
InChIKeyRJZYADRJKIMQDT-UHFFFAOYSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 47100068
2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 95375385
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-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 55892354
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-(3-methylsulfanylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39754583
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
CID 4795071
2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 114343947

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide (CID 78775763) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide is CC(NC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccncc1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is RJZYADRJKIMQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15(16-8-10-21-11-9-16)22-20(25)17-6-2-3-7-18(17)26-14-19(24)23-12-4-5-13-23/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,22,25).
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide?
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 369.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 78775763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).