2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide

C24H26N2O4S2 — CID 42988168

IUPAC2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-17-9-15-21(16-10-17)32(28,29)26(3)19-11-13-20(14-12-19)30-18(2)24(27)25-22-7-5-6-8-23(22)31-4/h5-16,18H,1-4H3,(H,25,27)
InChIKeyIVXVTFAKEFQKMR-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.95
Rot. Bonds8

About 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 42988168) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID42988168
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-17-9-15-21(16-10-17)32(28,29)26(3)19-11-13-20(14-12-19)30-18(2)24(27)25-22-7-5-6-8-23(22)31-4/h5-16,18H,1-4H3,(H,25,27)
InChIKeyIVXVTFAKEFQKMR-UHFFFAOYSA-N
XLogP4.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2,4,6-trimethylphenyl)propanamide
CID 42988169
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 53286343
2-(4-ethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953352
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 100627834
N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26180986
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2238568
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide (CID 42988168) is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)C(C)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is IVXVTFAKEFQKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-17-9-15-21(16-10-17)32(28,29)26(3)19-11-13-20(14-12-19)30-18(2)24(27)25-22-7-5-6-8-23(22)31-4/h5-16,18H,1-4H3,(H,25,27).
What are the key properties of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide?
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 470.62 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 42988168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).