N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide

C15H19ClN2O2S — CID 71931729

IUPACN-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide
SMILESCC(=O)NCCCSC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H19ClN2O2S/c1-11(19)17-8-4-10-21-14-7-9-18(15(14)20)13-6-3-2-5-12(13)16/h2-3,5-6,14H,4,7-10H2,1H3,(H,17,19)
InChIKeyMVADVMPHMKKMPB-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.70
Rot. Bonds6

About N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide

N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide (PubChem CID 71931729) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide
PubChem CID71931729
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC NameN-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide
SMILESCC(=O)NCCCSC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H19ClN2O2S/c1-11(19)17-8-4-10-21-14-7-9-18(15(14)20)13-6-3-2-5-12(13)16/h2-3,5-6,14H,4,7-10H2,1H3,(H,17,19)
InChIKeyMVADVMPHMKKMPB-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.70
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-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 581511
N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 2992022
3-{4-[4-(2-Chloro-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10831935
3-(2-Amino-ethylsulfanyl)-1-(3,4-dichloro-phenyl)-pyrrolidine-2,5-dione
CID 17385934
1-(2-Chlorophenyl)pyrrolidin-2-one
CID 4140553
N-(3,5-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 2978829
N-(3-chloro-4-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 3161809
N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 16251257
N-[2-(2-chloroanilino)-2-oxoethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25162338
1-(2-Chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2349778
N-(4-chlorophenyl)-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide
CID 4798359
N-(2-Chlorophenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 24818619

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide?
The IUPAC name of N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide (CID 71931729) is N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide.
What is the SMILES notation for N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide?
The canonical SMILES for N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide is CC(=O)NCCCSC1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide?
The InChIKey is MVADVMPHMKKMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-11(19)17-8-4-10-21-14-7-9-18(15(14)20)13-6-3-2-5-12(13)16/h2-3,5-6,14H,4,7-10H2,1H3,(H,17,19).
What are the key properties of N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide?
N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide has a molecular weight of 326.85 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]sulfanylpropyl]acetamide is sourced from PubChem (CID 71931729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).