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

C15H21NO4S — CID 97414634

IUPAC2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NC[C@@]1(OC)CCSC1
InChIInChI=1S/C15H21NO4S/c1-18-12-5-3-4-6-13(12)20-9-14(17)16-10-15(19-2)7-8-21-11-15/h3-6H,7-11H2,1-2H3,(H,16,17)/t15-/m0/s1
InChIKeyXOFJFCMLCRYUDT-HNNXBMFYSA-N
MW311.40 g/mol
LogP1.71
Rot. Bonds7

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

2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide (PubChem CID 97414634) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
PubChem CID97414634
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NC[C@@]1(OC)CCSC1
InChIInChI=1S/C15H21NO4S/c1-18-12-5-3-4-6-13(12)20-9-14(17)16-10-15(19-2)7-8-21-11-15/h3-6H,7-11H2,1-2H3,(H,16,17)/t15-/m0/s1
InChIKeyXOFJFCMLCRYUDT-HNNXBMFYSA-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-(4-methoxyphenoxy)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584294
1-(2,3-dimethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804947
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
2-(1,3-dioxoisoindol-2-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 90584319
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 20995004
1-(2-fluorophenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804938
1-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 71804831
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
3,5-dichloro-N-[(3-methoxythiolan-3-yl)methyl]benzamide
CID 90584301

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide (CID 97414634) is 2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide is COc1ccccc1OCC(=O)NC[C@@]1(OC)CCSC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide?
The InChIKey is XOFJFCMLCRYUDT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-18-12-5-3-4-6-13(12)20-9-14(17)16-10-15(19-2)7-8-21-11-15/h3-6H,7-11H2,1-2H3,(H,16,17)/t15-/m0/s1.
What are the key properties of 2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide?
2-(2-methoxyphenoxy)-N-[[(3S)-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-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide is sourced from PubChem (CID 97414634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).