N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide

C23H28N4O8S2 — CID 102513773

IUPACN,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)CCCCCC(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C23H28N4O8S2/c1-16(28)24-18-8-12-20(13-9-18)36(32,33)26-22(30)6-4-3-5-7-23(31)27-37(34,35)21-14-10-19(11-15-21)25-17(2)29/h8-15H,3-7H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)
InChIKeyWKFIXIWVZNOCQC-UHFFFAOYSA-N
MW552.63 g/mol
LogP1.86
Rot. Bonds12

About N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide

N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide (PubChem CID 102513773) has the molecular formula C23H28N4O8S2 and a molecular weight of 552.63 g/mol. Its IUPAC name is N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
PubChem CID102513773
Molecular FormulaC23H28N4O8S2
Molecular Weight552.63 g/mol
Exact Mass552.13
IUPAC NameN,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(=O)CCCCCC(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C23H28N4O8S2/c1-16(28)24-18-8-12-20(13-9-18)36(32,33)26-22(30)6-4-3-5-7-23(31)27-37(34,35)21-14-10-19(11-15-21)25-17(2)29/h8-15H,3-7H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31)
InChIKeyWKFIXIWVZNOCQC-UHFFFAOYSA-N
XLogP1.86
TPSA184.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.63
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide 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-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]heptanamide
CID 54789393
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
CID 47232028
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-(4-aminophenyl)sulfonyloctadecanamide;titanium
CID 87794526
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
N-(4-acetamidophenyl)sulfonyl-2-(1-hydroxycyclohexyl)acetamide
CID 102513772
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide?
The IUPAC name of N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide (CID 102513773) is N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide.
What is the SMILES notation for N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide?
The canonical SMILES for N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide is CC(=O)Nc1ccc(S(=O)(=O)NC(=O)CCCCCC(=O)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide?
The InChIKey is WKFIXIWVZNOCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O8S2/c1-16(28)24-18-8-12-20(13-9-18)36(32,33)26-22(30)6-4-3-5-7-23(31)27-37(34,35)21-14-10-19(11-15-21)25-17(2)29/h8-15H,3-7H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide?
N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide has a molecular weight of 552.63 g/mol, XLogP of 1.86, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-acetamidophenyl)sulfonyl]heptanediamide is sourced from PubChem (CID 102513773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).