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

C13H16ClNO4S — CID 7818825

IUPAC2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)COc2cccc(Cl)c2)CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO4S/c1-13(5-6-20(17,18)9-13)15-12(16)8-19-11-4-2-3-10(14)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyUTSNPCKGPFWYCI-CYBMUJFWSA-N
MW317.79 g/mol
LogP1.41
Rot. Bonds4

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

2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7818825) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7818825
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)COc2cccc(Cl)c2)CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO4S/c1-13(5-6-20(17,18)9-13)15-12(16)8-19-11-4-2-3-10(14)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyUTSNPCKGPFWYCI-CYBMUJFWSA-N
XLogP1.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7848446
2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7963914
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-chlorophenyl)methylsulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 51146174
[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604101
2-(2-acetamidophenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7867185
[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-methylbenzoate
CID 16527916
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 51146147
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580606
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 8708036

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 7818825) is 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@@]1(NC(=O)COc2cccc(Cl)c2)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is UTSNPCKGPFWYCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-13(5-6-20(17,18)9-13)15-12(16)8-19-11-4-2-3-10(14)7-11/h2-4,7H,5-6,8-9H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 317.79 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7818825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).