N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide

C21H24N2O2S — CID 16919382

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O2S/c1-2-26-19-11-7-6-10-18(19)21(25)22-13-17-12-20(24)23(15-17)14-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3,(H,22,25)
InChIKeyKLUXLYWJLXWQTL-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.58
Rot. Bonds7

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide (PubChem CID 16919382) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
PubChem CID16919382
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H24N2O2S/c1-2-26-19-11-7-6-10-18(19)21(25)22-13-17-12-20(24)23(15-17)14-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3,(H,22,25)
InChIKeyKLUXLYWJLXWQTL-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16918926
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
CID 124614944
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,4-dimethoxybenzamide
CID 16919286
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 16919284
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 16919361
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 97060537

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide (CID 16919382) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)NCC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide?
The InChIKey is KLUXLYWJLXWQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-2-26-19-11-7-6-10-18(19)21(25)22-13-17-12-20(24)23(15-17)14-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3,(H,22,25).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 16919382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).