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

C26H30N2O4S — CID 46634276

IUPAC2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C(=O)Nc3ccccc3C(C)C)cc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-18(2)24-8-6-7-9-25(24)27-26(29)20(4)32-22-14-12-21(13-15-22)28(5)33(30,31)23-16-10-19(3)11-17-23/h6-18,20H,1-5H3,(H,27,29)
InChIKeyBMUIMCVQHAOCAH-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.35
Rot. Bonds8

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

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 46634276) 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-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID46634276
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C(=O)Nc3ccccc3C(C)C)cc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-18(2)24-8-6-7-9-25(24)27-26(29)20(4)32-22-14-12-21(13-15-22)28(5)33(30,31)23-16-10-19(3)11-17-23/h6-18,20H,1-5H3,(H,27,29)
InChIKeyBMUIMCVQHAOCAH-UHFFFAOYSA-N
XLogP5.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-methylsulfanylphenyl)propanamide
CID 42988168
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
4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
CID 126140576
2-(4-ethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953352
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 100627834
2-(4-ethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 17093767
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide (CID 46634276) is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C(=O)Nc3ccccc3C(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is BMUIMCVQHAOCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-18(2)24-8-6-7-9-25(24)27-26(29)20(4)32-22-14-12-21(13-15-22)28(5)33(30,31)23-16-10-19(3)11-17-23/h6-18,20H,1-5H3,(H,27,29).
What are the key properties of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide?
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 466.60 g/mol, XLogP of 5.35, 8 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-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 46634276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).