N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide

C27H40N4O6S2 — CID 4924725

IUPACN,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C27H40N4O6S2/c1-20(2)30-38(34,35)24-16-12-22(13-17-24)28-26(32)10-8-6-5-7-9-11-27(33)29-23-14-18-25(19-15-23)39(36,37)31-21(3)4/h12-21,30-31H,5-11H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyWLHUGBMRVSLVJU-UHFFFAOYSA-N
MW580.77 g/mol
LogP4.37
Rot. Bonds16

About N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide

N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide (PubChem CID 4924725) has the molecular formula C27H40N4O6S2 and a molecular weight of 580.77 g/mol. Its IUPAC name is N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
PubChem CID4924725
Molecular FormulaC27H40N4O6S2
Molecular Weight580.77 g/mol
Exact Mass580.24
IUPAC NameN,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C27H40N4O6S2/c1-20(2)30-38(34,35)24-16-12-22(13-17-24)28-26(32)10-8-6-5-7-9-11-27(33)29-23-14-18-25(19-15-23)39(36,37)31-21(3)4/h12-21,30-31H,5-11H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyWLHUGBMRVSLVJU-UHFFFAOYSA-N
XLogP4.37
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.77
LogP ≤ 54.37
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-(propan-2-ylsulfamoyl)phenyl]nonanediamide 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

5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(propylamino)acetamide
CID 60687796
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55573139
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
3-(2-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9219325
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 120587040

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide?
The IUPAC name of N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide (CID 4924725) is N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide?
The InChIKey is WLHUGBMRVSLVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O6S2/c1-20(2)30-38(34,35)24-16-12-22(13-17-24)28-26(32)10-8-6-5-7-9-11-27(33)29-23-14-18-25(19-15-23)39(36,37)31-21(3)4/h12-21,30-31H,5-11H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide?
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide has a molecular weight of 580.77 g/mol, XLogP of 4.37, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide is sourced from PubChem (CID 4924725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).