N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide

C25H27N3O4S — CID 1025638

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-3-8-24(29)26-22-12-7-11-20(17-22)25(30)27-21-13-15-23(16-14-21)33(31,32)28(2)18-19-9-5-4-6-10-19/h4-7,9-17H,3,8,18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKZRFEUKDAZEOLH-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.50
Rot. Bonds9

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide (PubChem CID 1025638) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide
PubChem CID1025638
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-3-8-24(29)26-22-12-7-11-20(17-22)25(30)27-21-13-15-23(16-14-21)33(31,32)28(2)18-19-9-5-4-6-10-19/h4-7,9-17H,3,8,18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKZRFEUKDAZEOLH-UHFFFAOYSA-N
XLogP4.50
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 31493862
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-(3-acetylphenyl)-5-[benzyl(methyl)sulfamoyl]-2-chlorobenzamide
CID 2404495
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide (CID 1025638) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide is CCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide?
The InChIKey is KZRFEUKDAZEOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-3-8-24(29)26-22-12-7-11-20(17-22)25(30)27-21-13-15-23(16-14-21)33(31,32)28(2)18-19-9-5-4-6-10-19/h4-7,9-17H,3,8,18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide is sourced from PubChem (CID 1025638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).