2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide

C23H24N2O5S — CID 53280467

IUPAC2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccccc2OC)cc1
InChIInChI=1S/C23H24N2O5S/c1-17-8-4-5-9-20(17)24-23(26)16-25(21-10-6-7-11-22(21)30-3)31(27,28)19-14-12-18(29-2)13-15-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeySHPAELHMWLJBRI-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.85
Rot. Bonds8

About 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide

2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide (PubChem CID 53280467) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
PubChem CID53280467
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccccc2OC)cc1
InChIInChI=1S/C23H24N2O5S/c1-17-8-4-5-9-20(17)24-23(26)16-25(21-10-6-7-11-22(21)30-3)31(27,28)19-14-12-18(29-2)13-15-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeySHPAELHMWLJBRI-UHFFFAOYSA-N
XLogP3.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide (CID 53280467) is 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide?
The InChIKey is SHPAELHMWLJBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-17-8-4-5-9-20(17)24-23(26)16-25(21-10-6-7-11-22(21)30-3)31(27,28)19-14-12-18(29-2)13-15-19/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide?
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide has a molecular weight of 440.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 53280467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).