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

C14H19NO4S2 — CID 9043135

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO4S2/c1-2-19-12-5-3-11(4-6-12)15-14(16)9-20-13-7-8-21(17,18)10-13/h3-6,13H,2,7-10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyCBBGYWLFYYHOMV-ZDUSSCGKSA-N
MW329.44 g/mol
LogP1.94
Rot. Bonds6

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

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 9043135) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID9043135
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19NO4S2/c1-2-19-12-5-3-11(4-6-12)15-14(16)9-20-13-7-8-21(17,18)10-13/h3-6,13H,2,7-10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyCBBGYWLFYYHOMV-ZDUSSCGKSA-N
XLogP1.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 9043155
4-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]benzamide
CID 9044427
4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 9047770
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 9324387
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 9370015
N-(3-chloro-4-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9046130
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 95572316
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 95572317
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461209
N-(1,3-benzodioxol-5-yl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9042669
2-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9426984

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 9043135) is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is CBBGYWLFYYHOMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-2-19-12-5-3-11(4-6-12)15-14(16)9-20-13-7-8-21(17,18)10-13/h3-6,13H,2,7-10H2,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 329.44 g/mol, XLogP of 1.94, 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 9043135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).