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

C14H16N2O4S — CID 7963914

IUPAC2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)COc2cccc(C#N)c2)CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O4S/c1-14(5-6-21(18,19)10-14)16-13(17)9-20-12-4-2-3-11(7-12)8-15/h2-4,7H,5-6,9-10H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyTYQSZKRMPZMBCN-CQSZACIVSA-N
MW308.36 g/mol
LogP0.63
Rot. Bonds4

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

2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7963914) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7963914
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)COc2cccc(C#N)c2)CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O4S/c1-14(5-6-21(18,19)10-14)16-13(17)9-20-12-4-2-3-11(7-12)8-15/h2-4,7H,5-6,9-10H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyTYQSZKRMPZMBCN-CQSZACIVSA-N
XLogP0.63
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140794
2-(3,5-dichlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7848446
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821291
2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 31880581
[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-methylbenzoate
CID 16527916
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580606
2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 42896247
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-phenoxybenzamide
CID 7770326
dimethyl 5-[[2-(3-cyanophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2591381

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 7963914) is 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@@]1(NC(=O)COc2cccc(C#N)c2)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is TYQSZKRMPZMBCN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-14(5-6-21(18,19)10-14)16-13(17)9-20-12-4-2-3-11(7-12)8-15/h2-4,7H,5-6,9-10H2,1H3,(H,16,17)/t14-/m1/s1.
What are the key properties of 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7963914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).