2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide

C25H28N2O4S — CID 43885380

IUPAC2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-23(31-24-12-8-10-17(2)19(24)4)25(28)26-20-13-15-21(16-14-20)32(29,30)27-22-11-7-6-9-18(22)3/h6-16,23,27H,5H2,1-4H3,(H,26,28)
InChIKeyOQXQJWVOEZXIBG-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.21
Rot. Bonds8

About 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide

2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 43885380) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
PubChem CID43885380
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-23(31-24-12-8-10-17(2)19(24)4)25(28)26-20-13-15-21(16-14-20)32(29,30)27-22-11-7-6-9-18(22)3/h6-16,23,27H,5H2,1-4H3,(H,26,28)
InChIKeyOQXQJWVOEZXIBG-UHFFFAOYSA-N
XLogP5.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 99950023
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606
(2S)-2-(2,3-dimethylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]butanamide
CID 94016332
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
CID 92678428
(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 92679459
2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide (CID 43885380) is 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is OQXQJWVOEZXIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-23(31-24-12-8-10-17(2)19(24)4)25(28)26-20-13-15-21(16-14-20)32(29,30)27-22-11-7-6-9-18(22)3/h6-16,23,27H,5H2,1-4H3,(H,26,28).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide?
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 452.58 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 43885380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).