N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide

C24H28N2O4S — CID 44589711

IUPACN-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC
InChIInChI=1S/C24H28N2O4S/c1-28-22-11-10-20(15-23(22)29-2)30-13-12-26(17-21-9-6-14-31-21)18-24(27)25-16-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,25,27)
InChIKeyOGAACWFMUVJUEG-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.96
Rot. Bonds12

About N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide

N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 44589711) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID44589711
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC
InChIInChI=1S/C24H28N2O4S/c1-28-22-11-10-20(15-23(22)29-2)30-13-12-26(17-21-9-6-14-31-21)18-24(27)25-16-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,25,27)
InChIKeyOGAACWFMUVJUEG-UHFFFAOYSA-N
XLogP3.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide (CID 44589711) is N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide is COc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC.
What is the InChIKey of N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is OGAACWFMUVJUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-28-22-11-10-20(15-23(22)29-2)30-13-12-26(17-21-9-6-14-31-21)18-24(27)25-16-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,25,27).
What are the key properties of N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide?
N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 440.57 g/mol, XLogP of 3.96, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 44589711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).