N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide

C15H21NO5S — CID 94006317

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H21NO5S/c1-2-20-13-5-3-4-6-14(13)21-10-15(17)16-9-12-7-8-22(18,19)11-12/h3-6,12H,2,7-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyKNUOQPUFQDVDSX-GFCCVEGCSA-N
MW327.40 g/mol
LogP1.01
Rot. Bonds7

About N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 94006317) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID94006317
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H21NO5S/c1-2-20-13-5-3-4-6-14(13)21-10-15(17)16-9-12-7-8-22(18,19)11-12/h3-6,12H,2,7-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyKNUOQPUFQDVDSX-GFCCVEGCSA-N
XLogP1.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 94006290
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 71898156
2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 167937866
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
4-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]butanamide
CID 94345213
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735495
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
2-[(3S)-1,1-dioxothiolan-3-yl]-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 8938962
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-methylacetamide
CID 112993812

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide (CID 94006317) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)NC[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is KNUOQPUFQDVDSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-2-20-13-5-3-4-6-14(13)21-10-15(17)16-9-12-7-8-22(18,19)11-12/h3-6,12H,2,7-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 327.40 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 94006317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).