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

C23H24N2O3S — CID 4661529

IUPACN-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-6-8-17(9-7-16)22(25(2)21(26)15-20-5-4-14-29-20)23(27)24-18-10-12-19(28-3)13-11-18/h4-14,22H,15H2,1-3H3,(H,24,27)
InChIKeyDPYFNXKDUWHPOJ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.45
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 4661529) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID4661529
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-6-8-17(9-7-16)22(25(2)21(26)15-20-5-4-14-29-20)23(27)24-18-10-12-19(28-3)13-11-18/h4-14,22H,15H2,1-3H3,(H,24,27)
InChIKeyDPYFNXKDUWHPOJ-UHFFFAOYSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 4661529) is N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)Cc2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is DPYFNXKDUWHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-6-8-17(9-7-16)22(25(2)21(26)15-20-5-4-14-29-20)23(27)24-18-10-12-19(28-3)13-11-18/h4-14,22H,15H2,1-3H3,(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[methyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 4661529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).