N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide

C21H24N4O8S2 — CID 4199591

IUPACN,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
InChIInChI=1S/C21H24N4O8S2/c1-14(26)24-34(30,31)18-10-6-16(7-11-18)22-20(28)4-3-5-21(29)23-17-8-12-19(13-9-17)35(32,33)25-15(2)27/h6-13H,3-5H2,1-2H3,(H,22,28)(H,23,29)(H,24,26)(H,25,27)
InChIKeyOCAWDXIWGFXMIA-UHFFFAOYSA-N
MW524.58 g/mol
LogP1.08
Rot. Bonds10

About N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide

N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide (PubChem CID 4199591) has the molecular formula C21H24N4O8S2 and a molecular weight of 524.58 g/mol. Its IUPAC name is N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
PubChem CID4199591
Molecular FormulaC21H24N4O8S2
Molecular Weight524.58 g/mol
Exact Mass524.10
IUPAC NameN,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1
InChIInChI=1S/C21H24N4O8S2/c1-14(26)24-34(30,31)18-10-6-16(7-11-18)22-20(28)4-3-5-21(29)23-17-8-12-19(13-9-17)35(32,33)25-15(2)27/h6-13H,3-5H2,1-2H3,(H,22,28)(H,23,29)(H,24,26)(H,25,27)
InChIKeyOCAWDXIWGFXMIA-UHFFFAOYSA-N
XLogP1.08
TPSA184.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
CID 102513773
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]heptanamide
CID 54789393
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N-[4-(acetylsulfamoyl)phenyl]-2-(2-aminoethylsulfanyl)acetamide
CID 84553115
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 4786491
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 2471941
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide?
The IUPAC name of N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide (CID 4199591) is N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide?
The InChIKey is OCAWDXIWGFXMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O8S2/c1-14(26)24-34(30,31)18-10-6-16(7-11-18)22-20(28)4-3-5-21(29)23-17-8-12-19(13-9-17)35(32,33)25-15(2)27/h6-13H,3-5H2,1-2H3,(H,22,28)(H,23,29)(H,24,26)(H,25,27).
What are the key properties of N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide?
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide has a molecular weight of 524.58 g/mol, XLogP of 1.08, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide is sourced from PubChem (CID 4199591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).