2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C24H26N2O3S — CID 8960885

IUPAC2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-2-26(17-23(27)25-16-21-12-8-14-30-21)24(28)18-29-22-13-7-6-11-20(22)15-19-9-4-3-5-10-19/h3-14H,2,15-18H2,1H3,(H,25,27)
InChIKeyIHAMPOPWKKBGOR-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.88
Rot. Bonds10

About 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8960885) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8960885
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-2-26(17-23(27)25-16-21-12-8-14-30-21)24(28)18-29-22-13-7-6-11-20(22)15-19-9-4-3-5-10-19/h3-14H,2,15-18H2,1H3,(H,25,27)
InChIKeyIHAMPOPWKKBGOR-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 9014733
2-[ethyl-[2-(2-nitrophenoxy)acetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960861
N-ethyl-2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8960860
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-phenylthiophene-2-carboxylate
CID 34844560
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981
5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
CID 56520721
2-(2-benzylphenoxy)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 55599195
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2438719
4-(4-tert-butylphenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 25162016
2-[ethyl-[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 55835867

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 8960885) is 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)C(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IHAMPOPWKKBGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-2-26(17-23(27)25-16-21-12-8-14-30-21)24(28)18-29-22-13-7-6-11-20(22)15-19-9-4-3-5-10-19/h3-14H,2,15-18H2,1H3,(H,25,27).
What are the key properties of 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8960885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).