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

C22H22N2O3S — CID 4272876

IUPACN-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(NC(=O)C(NC(=O)Cc2cccs2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-5-7-16(8-6-15)21(24-20(25)14-19-4-3-13-28-19)22(26)23-17-9-11-18(27-2)12-10-17/h3-13,21H,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZPHFBXSFSJKGKU-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.10
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 4272876) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID4272876
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(NC(=O)C(NC(=O)Cc2cccs2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-5-7-16(8-6-15)21(24-20(25)14-19-4-3-13-28-19)22(26)23-17-9-11-18(27-2)12-10-17/h3-13,21H,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZPHFBXSFSJKGKU-UHFFFAOYSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide (CID 4272876) is N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide is COc1ccc(NC(=O)C(NC(=O)Cc2cccs2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is ZPHFBXSFSJKGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-5-7-16(8-6-15)21(24-20(25)14-19-4-3-13-28-19)22(26)23-17-9-11-18(27-2)12-10-17/h3-13,21H,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide?
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 394.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 4272876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).