N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide

C20H25NO4S — CID 112503024

IUPACN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C2(CNC(=O)Cc3cccs3)CCOCC2)cc1OC
InChIInChI=1S/C20H25NO4S/c1-23-17-6-5-15(12-18(17)24-2)20(7-9-25-10-8-20)14-21-19(22)13-16-4-3-11-26-16/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,21,22)
InChIKeyZOBHQZSTWCLELB-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.17
Rot. Bonds7

About N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 112503024) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID112503024
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C2(CNC(=O)Cc3cccs3)CCOCC2)cc1OC
InChIInChI=1S/C20H25NO4S/c1-23-17-6-5-15(12-18(17)24-2)20(7-9-25-10-8-20)14-21-19(22)13-16-4-3-11-26-16/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,21,22)
InChIKeyZOBHQZSTWCLELB-UHFFFAOYSA-N
XLogP3.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
CID 112503009
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-phenylbutanamide
CID 110621403
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
CID 112503044
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 112503037
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 30038082
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide (CID 112503024) is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide is COc1ccc(C2(CNC(=O)Cc3cccs3)CCOCC2)cc1OC.
What is the InChIKey of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZOBHQZSTWCLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-23-17-6-5-15(12-18(17)24-2)20(7-9-25-10-8-20)14-21-19(22)13-16-4-3-11-26-16/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 375.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112503024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).