2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide

C15H21NO4S — CID 90584294

IUPAC2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCC2(OC)CCSC2)cc1
InChIInChI=1S/C15H21NO4S/c1-18-12-3-5-13(6-4-12)20-9-14(17)16-10-15(19-2)7-8-21-11-15/h3-6H,7-11H2,1-2H3,(H,16,17)
InChIKeyHIESMOUYAYJLKX-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.71
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide

2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide (PubChem CID 90584294) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
PubChem CID90584294
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCC2(OC)CCSC2)cc1
InChIInChI=1S/C15H21NO4S/c1-18-12-3-5-13(6-4-12)20-9-14(17)16-10-15(19-2)7-8-21-11-15/h3-6H,7-11H2,1-2H3,(H,16,17)
InChIKeyHIESMOUYAYJLKX-UHFFFAOYSA-N
XLogP1.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
1-(4-ethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584520
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 114751227
2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide
CID 97414730
2-(4-methoxyphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956861
2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 71804831
N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
3,4,5-triethoxy-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584342

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide (CID 90584294) is 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide is COc1ccc(OCC(=O)NCC2(OC)CCSC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The InChIKey is HIESMOUYAYJLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-18-12-3-5-13(6-4-12)20-9-14(17)16-10-15(19-2)7-8-21-11-15/h3-6H,7-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide has a molecular weight of 311.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 90584294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).