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

C14H19NO4S — CID 7222858

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)C[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO4S/c1-2-19-13-6-4-3-5-12(13)15-14(16)9-11-7-8-20(17,18)10-11/h3-6,11H,2,7-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyWIOQCBGXNJGGIX-LLVKDONJSA-N
MW297.38 g/mol
LogP1.85
Rot. Bonds5

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

2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 7222858) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID7222858
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)C[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO4S/c1-2-19-13-6-4-3-5-12(13)15-14(16)9-11-7-8-20(17,18)10-11/h3-6,11H,2,7-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyWIOQCBGXNJGGIX-LLVKDONJSA-N
XLogP1.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735495
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
CID 109001684
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620362
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[ethyl(methyl)amino]phenyl]acetamide
CID 95620361
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 9043155
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64795292
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
CID 94006317
N-(1,1-dioxothiolan-3-yl)-N'-(2-ethoxyphenyl)-N,2,2-trimethylpropanediamide
CID 108964769
N-(2-benzylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408989
N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95981194
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 75521076

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide (CID 7222858) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)C[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is WIOQCBGXNJGGIX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-19-13-6-4-3-5-12(13)15-14(16)9-11-7-8-20(17,18)10-11/h3-6,11H,2,7-10H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 7222858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).