2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide

C26H30N2O4S — CID 43915545

IUPAC2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C26H30N2O4S/c1-6-24(32-25-16-18(3)8-10-20(25)5)26(29)27-21-11-13-22(14-12-21)33(30,31)28-23-15-17(2)7-9-19(23)4/h7-16,24,28H,6H2,1-5H3,(H,27,29)
InChIKeyNGCFNFOFIWJSBL-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.52
Rot. Bonds8

About 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide

2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 43915545) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
PubChem CID43915545
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C26H30N2O4S/c1-6-24(32-25-16-18(3)8-10-20(25)5)26(29)27-21-11-13-22(14-12-21)33(30,31)28-23-15-17(2)7-9-19(23)4/h7-16,24,28H,6H2,1-5H3,(H,27,29)
InChIKeyNGCFNFOFIWJSBL-UHFFFAOYSA-N
XLogP5.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.52
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
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677320
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 94016432
(2R)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-naphthalen-1-yloxybutanamide
CID 92679459
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
CID 92671713
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide (CID 43915545) is 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide is CCC(Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is NGCFNFOFIWJSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-6-24(32-25-16-18(3)8-10-20(25)5)26(29)27-21-11-13-22(14-12-21)33(30,31)28-23-15-17(2)7-9-19(23)4/h7-16,24,28H,6H2,1-5H3,(H,27,29).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide?
2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 466.60 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 43915545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).