N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide

C25H28N2O6S — CID 43876669

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C25H28N2O6S/c1-5-22(33-23-9-7-6-8-17(23)2)25(28)26-18-10-13-20(14-11-18)34(29,30)27-21-16-19(31-3)12-15-24(21)32-4/h6-16,22,27H,5H2,1-4H3,(H,26,28)
InChIKeyXDFXSQZJNKXQCK-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.61
Rot. Bonds10

About N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (PubChem CID 43876669) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
PubChem CID43876669
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C25H28N2O6S/c1-5-22(33-23-9-7-6-8-17(23)2)25(28)26-18-10-13-20(14-11-18)34(29,30)27-21-16-19(31-3)12-15-24(21)32-4/h6-16,22,27H,5H2,1-4H3,(H,26,28)
InChIKeyXDFXSQZJNKXQCK-UHFFFAOYSA-N
XLogP4.61
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43910321
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
(2R)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 30384301
2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 43885240
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 54782642
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040
(2S)-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 99955586

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (CID 43876669) is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is XDFXSQZJNKXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-5-22(33-23-9-7-6-8-17(23)2)25(28)26-18-10-13-20(14-11-18)34(29,30)27-21-16-19(31-3)12-15-24(21)32-4/h6-16,22,27H,5H2,1-4H3,(H,26,28).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 484.57 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 43876669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).