N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C25H28N2O4S — CID 2878889

IUPACN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-9-10-20(2)24(17-19)26-25(28)18-27(16-15-21-7-5-4-6-8-21)32(29,30)23-13-11-22(31-3)12-14-23/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
InChIKeyFHLVZENCLGROOS-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.18
Rot. Bonds9

About N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 2878889) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID2878889
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-9-10-20(2)24(17-19)26-25(28)18-27(16-15-21-7-5-4-6-8-21)32(29,30)23-13-11-22(31-3)12-14-23/h4-14,17H,15-16,18H2,1-3H3,(H,26,28)
InChIKeyFHLVZENCLGROOS-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 2878889) is N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is FHLVZENCLGROOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-9-10-20(2)24(17-19)26-25(28)18-27(16-15-21-7-5-4-6-8-21)32(29,30)23-13-11-22(31-3)12-14-23/h4-14,17H,15-16,18H2,1-3H3,(H,26,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 2878889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).