N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide

C25H28N2O4S — CID 4950024

IUPACN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-24(31-22-10-6-17(2)7-11-22)25(28)26-20-8-12-23(13-9-20)32(29,30)27-21-15-18(3)14-19(4)16-21/h6-16,24,27H,5H2,1-4H3,(H,26,28)
InChIKeyHZHGRFYMBJOOTD-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.21
Rot. Bonds8

About N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide

N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide (PubChem CID 4950024) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
PubChem CID4950024
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-24(31-22-10-6-17(2)7-11-22)25(28)26-20-8-12-23(13-9-20)32(29,30)27-21-15-18(3)14-19(4)16-21/h6-16,24,27H,5H2,1-4H3,(H,26,28)
InChIKeyHZHGRFYMBJOOTD-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

2-(4-fluorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885925
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 3163982
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076240
(2S)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)butanamide
CID 92671713
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
(2S)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
CID 28577445
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677320
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 17106989

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide (CID 4950024) is N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide?
The InChIKey is HZHGRFYMBJOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-24(31-22-10-6-17(2)7-11-22)25(28)26-20-8-12-23(13-9-20)32(29,30)27-21-15-18(3)14-19(4)16-21/h6-16,24,27H,5H2,1-4H3,(H,26,28).
What are the key properties of N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide?
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)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 N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 4950024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).