N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide

C33H48N4O6S2 — CID 4629962

IUPACN,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C33H48N4O6S2/c38-32(34-26-18-22-30(23-19-26)44(40,41)36-28-12-6-4-7-13-28)16-10-2-1-3-11-17-33(39)35-27-20-24-31(25-21-27)45(42,43)37-29-14-8-5-9-15-29/h18-25,28-29,36-37H,1-17H2,(H,34,38)(H,35,39)
InChIKeyQBSSFJOHPMPGRF-UHFFFAOYSA-N
MW660.90 g/mol
LogP6.22
Rot. Bonds16

About N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide

N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide (PubChem CID 4629962) has the molecular formula C33H48N4O6S2 and a molecular weight of 660.90 g/mol. Its IUPAC name is N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
PubChem CID4629962
Molecular FormulaC33H48N4O6S2
Molecular Weight660.90 g/mol
Exact Mass660.30
IUPAC NameN,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C33H48N4O6S2/c38-32(34-26-18-22-30(23-19-26)44(40,41)36-28-12-6-4-7-13-28)16-10-2-1-3-11-17-33(39)35-27-20-24-31(25-21-27)45(42,43)37-29-14-8-5-9-15-29/h18-25,28-29,36-37H,1-17H2,(H,34,38)(H,35,39)
InChIKeyQBSSFJOHPMPGRF-UHFFFAOYSA-N
XLogP6.22
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.90
LogP ≤ 56.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807070
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 7216647
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109452
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide?
The IUPAC name of N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide (CID 4629962) is N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide is O=C(CCCCCCCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide?
The InChIKey is QBSSFJOHPMPGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N4O6S2/c38-32(34-26-18-22-30(23-19-26)44(40,41)36-28-12-6-4-7-13-28)16-10-2-1-3-11-17-33(39)35-27-20-24-31(25-21-27)45(42,43)37-29-14-8-5-9-15-29/h18-25,28-29,36-37H,1-17H2,(H,34,38)(H,35,39).
What are the key properties of N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide?
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide has a molecular weight of 660.90 g/mol, XLogP of 6.22, 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-(cyclohexylsulfamoyl)phenyl]nonanediamide is sourced from PubChem (CID 4629962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).