N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide

C26H38N4O6S2 — CID 4992549

IUPACN,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C26H38N4O6S2/c1-25(2,3)29-37(33,34)21-15-11-19(12-16-21)27-23(31)9-7-8-10-24(32)28-20-13-17-22(18-14-20)38(35,36)30-26(4,5)6/h11-18,29-30H,7-10H2,1-6H3,(H,27,31)(H,28,32)
InChIKeyDJJOSAOGAPJTPX-UHFFFAOYSA-N
MW566.75 g/mol
LogP3.98
Rot. Bonds11

About N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide

N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide (PubChem CID 4992549) has the molecular formula C26H38N4O6S2 and a molecular weight of 566.75 g/mol. Its IUPAC name is N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
PubChem CID4992549
Molecular FormulaC26H38N4O6S2
Molecular Weight566.75 g/mol
Exact Mass566.22
IUPAC NameN,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C26H38N4O6S2/c1-25(2,3)29-37(33,34)21-15-11-19(12-16-21)27-23(31)9-7-8-10-24(32)28-20-13-17-22(18-14-20)38(35,36)30-26(4,5)6/h11-18,29-30H,7-10H2,1-6H3,(H,27,31)(H,28,32)
InChIKeyDJJOSAOGAPJTPX-UHFFFAOYSA-N
XLogP3.98
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.75
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide 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-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
methyl 4-[4-(tert-butylsulfamoyl)anilino]-4-oxobutanoate
CID 5199846
N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 3391312
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
ethyl 3-[4-(tert-butylsulfamoyl)anilino]-3-oxopropanoate
CID 17097498
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
CID 4044394
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 3252934
3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 60849933
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide (CID 4992549) is N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide?
The InChIKey is DJJOSAOGAPJTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O6S2/c1-25(2,3)29-37(33,34)21-15-11-19(12-16-21)27-23(31)9-7-8-10-24(32)28-20-13-17-22(18-14-20)38(35,36)30-26(4,5)6/h11-18,29-30H,7-10H2,1-6H3,(H,27,31)(H,28,32).
What are the key properties of N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide?
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide has a molecular weight of 566.75 g/mol, XLogP of 3.98, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide is sourced from PubChem (CID 4992549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).