N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide

C25H27N3O4S — CID 2208333

IUPACN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-3-4-5-24(29)26-20-12-8-19(9-13-20)25(30)27-21-14-16-23(17-15-21)33(31,32)28-22-10-6-18(2)7-11-22/h6-17,28H,3-5H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZCGTVHVBSXWEBD-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.18
Rot. Bonds9

About N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide (PubChem CID 2208333) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide
PubChem CID2208333
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-3-4-5-24(29)26-20-12-8-19(9-13-20)25(30)27-21-14-16-23(17-15-21)33(31,32)28-22-10-6-18(2)7-11-22/h6-17,28H,3-5H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZCGTVHVBSXWEBD-UHFFFAOYSA-N
XLogP5.18
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide (CID 2208333) is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide?
The InChIKey is ZCGTVHVBSXWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-3-4-5-24(29)26-20-12-8-19(9-13-20)25(30)27-21-14-16-23(17-15-21)33(31,32)28-22-10-6-18(2)7-11-22/h6-17,28H,3-5H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide?
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide has a molecular weight of 465.58 g/mol, XLogP of 5.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 2208333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).