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

C20H21ClN2O2S — CID 16918889

IUPAC2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CSCc1ccccc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN2O2S/c21-17-6-8-18(9-7-17)23-12-16(10-20(23)25)11-22-19(24)14-26-13-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,22,24)
InChIKeyUZYMPURJCVRSHN-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.74
Rot. Bonds7

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

2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (PubChem CID 16918889) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
PubChem CID16918889
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CSCc1ccccc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN2O2S/c21-17-6-8-18(9-7-17)23-12-16(10-20(23)25)11-22-19(24)14-26-13-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,22,24)
InChIKeyUZYMPURJCVRSHN-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
(Z)-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-phenylprop-2-enamide
CID 16918871
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16918920
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
3-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 16920179
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16918926
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea
CID 16920175
3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide
CID 18447636
ethyl N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896854
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide (CID 16918889) is 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is O=C(CSCc1ccccc1)NCC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
The InChIKey is UZYMPURJCVRSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c21-17-6-8-18(9-7-17)23-12-16(10-20(23)25)11-22-19(24)14-26-13-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,22,24).
What are the key properties of 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide?
2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide has a molecular weight of 388.92 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 16918889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).