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

C14H19NO4S — CID 94006373

IUPACN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO4S/c1-19-13-5-3-2-4-12(13)8-14(16)15-9-11-6-7-20(17,18)10-11/h2-5,11H,6-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyPYKUYLLVZUZXOA-LLVKDONJSA-N
MW297.38 g/mol
LogP0.79
Rot. Bonds5

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

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 94006373) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide
PubChem CID94006373
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO4S/c1-19-13-5-3-2-4-12(13)8-14(16)15-9-11-6-7-20(17,18)10-11/h2-5,11H,6-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyPYKUYLLVZUZXOA-LLVKDONJSA-N
XLogP0.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide (CID 94006373) is N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is PYKUYLLVZUZXOA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-19-13-5-3-2-4-12(13)8-14(16)15-9-11-6-7-20(17,18)10-11/h2-5,11H,6-10H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide?
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 94006373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).