2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide

C19H25NO4S — CID 55613748

IUPAC2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(CC2CCCO2)C2CCSC2)c1
InChIInChI=1S/C19H25NO4S/c1-14(21)15-4-2-5-17(10-15)24-12-19(22)20(16-7-9-25-13-16)11-18-6-3-8-23-18/h2,4-5,10,16,18H,3,6-9,11-13H2,1H3
InChIKeyYJCNVAZUQZFTIP-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.78
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide

2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide (PubChem CID 55613748) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
PubChem CID55613748
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(CC2CCCO2)C2CCSC2)c1
InChIInChI=1S/C19H25NO4S/c1-14(21)15-4-2-5-17(10-15)24-12-19(22)20(16-7-9-25-13-16)11-18-6-3-8-23-18/h2,4-5,10,16,18H,3,6-9,11-13H2,1H3
InChIKeyYJCNVAZUQZFTIP-UHFFFAOYSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 55613713
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
CID 55613304
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
CID 55613249
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
CID 55613338
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide (CID 55613748) is 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide is CC(=O)c1cccc(OCC(=O)N(CC2CCCO2)C2CCSC2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide?
The InChIKey is YJCNVAZUQZFTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-14(21)15-4-2-5-17(10-15)24-12-19(22)20(16-7-9-25-13-16)11-18-6-3-8-23-18/h2,4-5,10,16,18H,3,6-9,11-13H2,1H3.
What are the key properties of 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide?
2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide has a molecular weight of 363.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 55613748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).