N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H26N2O4S — CID 1070186

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-8-12-21(13-9-18)26(31(28,29)22-14-10-19(2)11-15-22)17-24(27)25-16-20-6-4-5-7-23(20)30-3/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyQRHOUMJWSIHSMR-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.82
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1070186) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1070186
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-8-12-21(13-9-18)26(31(28,29)22-14-10-19(2)11-15-22)17-24(27)25-16-20-6-4-5-7-23(20)30-3/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyQRHOUMJWSIHSMR-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1070186) is N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is QRHOUMJWSIHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-8-12-21(13-9-18)26(31(28,29)22-14-10-19(2)11-15-22)17-24(27)25-16-20-6-4-5-7-23(20)30-3/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1070186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).