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

C27H32N2O4S — CID 3210928

IUPAC2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1ccc(C(C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C27H32N2O4S/c1-4-20-7-11-22(12-8-20)26(27(31)28-19-21-9-13-23(33-3)14-10-21)29(15-16-32-2)25(30)18-24-6-5-17-34-24/h5-14,17,26H,4,15-16,18-19H2,1-3H3,(H,28,31)
InChIKeyBJMRTYUUYBCDRP-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.39
Rot. Bonds12

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

2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3210928) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID3210928
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1ccc(C(C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C27H32N2O4S/c1-4-20-7-11-22(12-8-20)26(27(31)28-19-21-9-13-23(33-3)14-10-21)29(15-16-32-2)25(30)18-24-6-5-17-34-24/h5-14,17,26H,4,15-16,18-19H2,1-3H3,(H,28,31)
InChIKeyBJMRTYUUYBCDRP-UHFFFAOYSA-N
XLogP4.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 3210928) is 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is CCc1ccc(C(C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)Cc2cccs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is BJMRTYUUYBCDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-4-20-7-11-22(12-8-20)26(27(31)28-19-21-9-13-23(33-3)14-10-21)29(15-16-32-2)25(30)18-24-6-5-17-34-24/h5-14,17,26H,4,15-16,18-19H2,1-3H3,(H,28,31).
What are the key properties of 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 4.39, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3210928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).