2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C15H18N2O5S — CID 7992960

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O5S/c1-2-21-14-7-11(8-16)3-4-13(14)22-9-15(18)17-12-5-6-23(19,20)10-12/h3-4,7,12H,2,5-6,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyRAFSDDBWFQFCCX-LBPRGKRZSA-N
MW338.39 g/mol
LogP0.64
Rot. Bonds6

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

2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7992960) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7992960
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O5S/c1-2-21-14-7-11(8-16)3-4-13(14)22-9-15(18)17-12-5-6-23(19,20)10-12/h3-4,7,12H,2,5-6,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyRAFSDDBWFQFCCX-LBPRGKRZSA-N
XLogP0.64
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide with MolForge

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7842944
4-[2-[1-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]-3-ethoxybenzonitrile
CID 7992871
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712134
2-(2-bromo-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7949213
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 3326955
2-(2-chloro-4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78815113
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
CID 27710236

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 7992960) is 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is CCOc1cc(C#N)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is RAFSDDBWFQFCCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-2-21-14-7-11(8-16)3-4-13(14)22-9-15(18)17-12-5-6-23(19,20)10-12/h3-4,7,12H,2,5-6,9-10H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7992960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).