2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide

C24H26N2O4S — CID 4931944

IUPAC2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-22(30-23-13-9-8-10-18(23)2)24(27)25-19-14-16-21(17-15-19)31(28,29)26(3)20-11-6-5-7-12-20/h5-17,22H,4H2,1-3H3,(H,25,27)
InChIKeyUHJSWKYPHBABBK-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.62
Rot. Bonds8

About 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide

2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide (PubChem CID 4931944) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide
PubChem CID4931944
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-22(30-23-13-9-8-10-18(23)2)24(27)25-19-14-16-21(17-15-19)31(28,29)26(3)20-11-6-5-7-12-20/h5-17,22H,4H2,1-3H3,(H,25,27)
InChIKeyUHJSWKYPHBABBK-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide
CID 42579514
2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43876383
2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 43885240
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 78843000
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
(2R)-2-(2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 92672537
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(4-ethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953352

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide (CID 4931944) is 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is UHJSWKYPHBABBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-22(30-23-13-9-8-10-18(23)2)24(27)25-19-14-16-21(17-15-19)31(28,29)26(3)20-11-6-5-7-12-20/h5-17,22H,4H2,1-3H3,(H,25,27).
What are the key properties of 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide?
2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 438.55 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 4931944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).