N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide

C20H21ClN2O2S — CID 16918926

IUPACN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN2O2S/c1-2-26-18-6-4-3-5-17(18)20(25)22-12-14-11-19(24)23(13-14)16-9-7-15(21)8-10-16/h3-10,14H,2,11-13H2,1H3,(H,22,25)
InChIKeyQYPFPTQHOCJENI-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.23
Rot. Bonds6

About N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide

N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide (PubChem CID 16918926) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
PubChem CID16918926
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN2O2S/c1-2-26-18-6-4-3-5-17(18)20(25)22-12-14-11-19(24)23(13-14)16-9-7-15(21)8-10-16/h3-10,14H,2,11-13H2,1H3,(H,22,25)
InChIKeyQYPFPTQHOCJENI-UHFFFAOYSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(difluoromethylsulfonyl)benzamide
CID 16918924
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
3-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 16920179
ethyl N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896854
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
2,4-dichloro-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918546

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide (CID 16918926) is N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)NCC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide?
The InChIKey is QYPFPTQHOCJENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-2-26-18-6-4-3-5-17(18)20(25)22-12-14-11-19(24)23(13-14)16-9-7-15(21)8-10-16/h3-10,14H,2,11-13H2,1H3,(H,22,25).
What are the key properties of N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide?
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide has a molecular weight of 388.92 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 16918926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).