2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

C17H22N2O4S2 — CID 8589661

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H22N2O4S2/c20-16(11-24-15-7-9-25(22,23)12-15)18-10-13-3-5-14(6-4-13)19-8-1-2-17(19)21/h3-6,15H,1-2,7-12H2,(H,18,20)/t15-/m0/s1
InChIKeyJLWZSTBHUMYCAI-HNNXBMFYSA-N
MW382.51 g/mol
LogP1.35
Rot. Bonds6

About 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (PubChem CID 8589661) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
PubChem CID8589661
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESO=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H22N2O4S2/c20-16(11-24-15-7-9-25(22,23)12-15)18-10-13-3-5-14(6-4-13)19-8-1-2-17(19)21/h3-6,15H,1-2,7-12H2,(H,18,20)/t15-/m0/s1
InChIKeyJLWZSTBHUMYCAI-HNNXBMFYSA-N
XLogP1.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589722
N-[(4-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 78814527
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111140259
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-(cyclopropylmethylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749231
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9269143
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (CID 8589661) is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is JLWZSTBHUMYCAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c20-16(11-24-15-7-9-25(22,23)12-15)18-10-13-3-5-14(6-4-13)19-8-1-2-17(19)21/h3-6,15H,1-2,7-12H2,(H,18,20)/t15-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 8589661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).