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

C13H16ClNO4S — CID 94006290

IUPAC2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NC[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO4S/c14-11-3-1-2-4-12(11)19-8-13(16)15-7-10-5-6-20(17,18)9-10/h1-4,10H,5-9H2,(H,15,16)/t10-/m0/s1
InChIKeyRUOMZMSTJZKKPU-JTQLQIEISA-N
MW317.79 g/mol
LogP1.27
Rot. Bonds5

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

2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide (PubChem CID 94006290) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
PubChem CID94006290
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NC[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO4S/c14-11-3-1-2-4-12(11)19-8-13(16)15-7-10-5-6-20(17,18)9-10/h1-4,10H,5-9H2,(H,15,16)/t10-/m0/s1
InChIKeyRUOMZMSTJZKKPU-JTQLQIEISA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]butanamide
CID 94345213
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
CID 94006317
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 167937866
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 71898156
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8939667
2-[(3S)-1,1-dioxothiolan-3-yl]-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 8938962
3-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51726457
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylsulfanylacetamide
CID 47156935
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107
2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide (CID 94006290) is 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide is O=C(COc1ccccc1Cl)NC[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide?
The InChIKey is RUOMZMSTJZKKPU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-11-3-1-2-4-12(11)19-8-13(16)15-7-10-5-6-20(17,18)9-10/h1-4,10H,5-9H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide?
2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide has a molecular weight of 317.79 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide is sourced from PubChem (CID 94006290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).