2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide

C26H30N2O4S — CID 42988169

IUPAC2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-17-7-13-24(14-8-17)33(30,31)28(6)22-9-11-23(12-10-22)32-21(5)26(29)27-25-19(3)15-18(2)16-20(25)4/h7-16,21H,1-6H3,(H,27,29)
InChIKeyTZAZCZCLJBBQTN-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.15
Rot. Bonds7

About 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 42988169) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID42988169
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-17-7-13-24(14-8-17)33(30,31)28(6)22-9-11-23(12-10-22)32-21(5)26(29)27-25-19(3)15-18(2)16-20(25)4/h7-16,21H,1-6H3,(H,27,29)
InChIKeyTZAZCZCLJBBQTN-UHFFFAOYSA-N
XLogP5.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide
CID 46634276
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide
CID 42988168
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8760048
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
2-[4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenoxy]propanoic acid
CID 16775125
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
2-(4-ethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953352
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 7795231
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
CID 4782661

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide (CID 42988169) is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1.
What is the InChIKey of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is TZAZCZCLJBBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-17-7-13-24(14-8-17)33(30,31)28(6)22-9-11-23(12-10-22)32-21(5)26(29)27-25-19(3)15-18(2)16-20(25)4/h7-16,21H,1-6H3,(H,27,29).
What are the key properties of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide?
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 466.60 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 42988169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).