N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide

C25H28N2O4S — CID 4948284

IUPACN-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-19(2)16-17-31-23-12-8-21(9-13-23)25(28)27-22-10-14-24(15-11-22)32(29,30)26-18-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)
InChIKeyZAPNKSIWHPKLPR-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.84
Rot. Bonds10

About N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide

N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide (PubChem CID 4948284) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
PubChem CID4948284
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-19(2)16-17-31-23-12-8-21(9-13-23)25(28)27-22-10-14-24(15-11-22)32(29,30)26-18-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28)
InChIKeyZAPNKSIWHPKLPR-UHFFFAOYSA-N
XLogP4.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953078
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 4948208

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide (CID 4948284) is N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide?
The InChIKey is ZAPNKSIWHPKLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19(2)16-17-31-23-12-8-21(9-13-23)25(28)27-22-10-14-24(15-11-22)32(29,30)26-18-20-6-4-3-5-7-20/h3-15,19,26H,16-18H2,1-2H3,(H,27,28).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide?
N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4948284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).