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

C26H30N2O4S — CID 3210916

IUPAC2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCOCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4S/c1-19-6-10-21(11-7-19)25(26(30)27-18-20-8-12-22(32-3)13-9-20)28(14-15-31-2)24(29)17-23-5-4-16-33-23/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,27,30)
InChIKeyMWXUJSOAHVMPJC-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.14
Rot. Bonds11

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

2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 3210916) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID3210916
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCOCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4S/c1-19-6-10-21(11-7-19)25(26(30)27-18-20-8-12-22(32-3)13-9-20)28(14-15-31-2)24(29)17-23-5-4-16-33-23/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,27,30)
InChIKeyMWXUJSOAHVMPJC-UHFFFAOYSA-N
XLogP4.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.14
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-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide (CID 3210916) is 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide is COCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is MWXUJSOAHVMPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19-6-10-21(11-7-19)25(26(30)27-18-20-8-12-22(32-3)13-9-20)28(14-15-31-2)24(29)17-23-5-4-16-33-23/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,27,30).
What are the key properties of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide?
2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.14, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 3210916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).