2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide

C25H28N2O4S — CID 3210904

IUPAC2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-30-15-14-27(23(28)17-22-9-6-16-32-22)24(20-7-4-3-5-8-20)25(29)26-18-19-10-12-21(31-2)13-11-19/h3-13,16,24H,14-15,17-18H2,1-2H3,(H,26,29)
InChIKeyDKXVYLJWFFUHBW-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.83
Rot. Bonds11

About 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide

2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide (PubChem CID 3210904) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
PubChem CID3210904
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-30-15-14-27(23(28)17-22-9-6-16-32-22)24(20-7-4-3-5-8-20)25(29)26-18-19-10-12-21(31-2)13-11-19/h3-13,16,24H,14-15,17-18H2,1-2H3,(H,26,29)
InChIKeyDKXVYLJWFFUHBW-UHFFFAOYSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide (CID 3210904) is 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide is COCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide?
The InChIKey is DKXVYLJWFFUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-30-15-14-27(23(28)17-22-9-6-16-32-22)24(20-7-4-3-5-8-20)25(29)26-18-19-10-12-21(31-2)13-11-19/h3-13,16,24H,14-15,17-18H2,1-2H3,(H,26,29).
What are the key properties of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide?
2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide has a molecular weight of 452.58 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 3210904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).