2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide

C19H23NO4S — CID 30943752

IUPAC2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C19H23NO4S/c1-22-15-5-2-3-6-16(15)24-13-18(21)20-14-19(8-10-23-11-9-19)17-7-4-12-25-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,21)
InChIKeyBYRATXUDIDZQKZ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.00
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide

2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide (PubChem CID 30943752) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
PubChem CID30943752
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C19H23NO4S/c1-22-15-5-2-3-6-16(15)24-13-18(21)20-14-19(8-10-23-11-9-19)17-7-4-12-25-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,21)
InChIKeyBYRATXUDIDZQKZ-UHFFFAOYSA-N
XLogP3.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943676
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 112503024
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
5-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 71798247
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522306
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806746
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide (CID 30943752) is 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide is COc1ccccc1OCC(=O)NCC1(c2cccs2)CCOCC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide?
The InChIKey is BYRATXUDIDZQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-22-15-5-2-3-6-16(15)24-13-18(21)20-14-19(8-10-23-11-9-19)17-7-4-12-25-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,21).
What are the key properties of 2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide?
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide has a molecular weight of 361.46 g/mol, XLogP of 3.00, 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-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 30943752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).