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

C25H28N2O4S — CID 43910321

IUPACN-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-23(31-24-9-7-6-8-19(24)4)25(28)26-20-12-14-21(15-13-20)32(29,30)27-22-16-17(2)10-11-18(22)3/h6-16,23,27H,5H2,1-4H3,(H,26,28)
InChIKeyVDCNNZDSQFEGBU-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.21
Rot. Bonds8

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

N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (PubChem CID 43910321) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
PubChem CID43910321
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H28N2O4S/c1-5-23(31-24-9-7-6-8-19(24)4)25(28)26-20-12-14-21(15-13-20)32(29,30)27-22-16-17(2)10-11-18(22)3/h6-16,23,27H,5H2,1-4H3,(H,26,28)
InChIKeyVDCNNZDSQFEGBU-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-(2,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43915545
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]butanamide
CID 99949850
2-(2,3-dimethylphenoxy)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]butanamide
CID 43885380
(2R)-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 93488130
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
(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
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]butanamide
CID 28631697
(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
(2S)-2-(2,5-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 92677320
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 94016432

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide (CID 43910321) is N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is VDCNNZDSQFEGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-23(31-24-9-7-6-8-19(24)4)25(28)26-20-12-14-21(15-13-20)32(29,30)27-22-16-17(2)10-11-18(22)3/h6-16,23,27H,5H2,1-4H3,(H,26,28).
What are the key properties of N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide?
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-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-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 43910321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).