N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide

C20H25N3O4S — CID 2229397

IUPACN-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-3-5-6-19(24)22-16-9-7-15(8-10-16)20(25)23-17-11-13-18(14-12-17)28(26,27)21-4-2/h7-14,21H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyACNAEFGVBYSQJX-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.37
Rot. Bonds9

About N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide

N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide (PubChem CID 2229397) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
PubChem CID2229397
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-3-5-6-19(24)22-16-9-7-15(8-10-16)20(25)23-17-11-13-18(14-12-17)28(26,27)21-4-2/h7-14,21H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyACNAEFGVBYSQJX-UHFFFAOYSA-N
XLogP3.37
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-(ethylsulfamoyl)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 46518600
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide (CID 2229397) is N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC)cc2)cc1.
What is the InChIKey of N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide?
The InChIKey is ACNAEFGVBYSQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-5-6-19(24)22-16-9-7-15(8-10-16)20(25)23-17-11-13-18(14-12-17)28(26,27)21-4-2/h7-14,21H,3-6H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide?
N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide has a molecular weight of 403.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 2229397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).