N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide

C29H44N4O6S2 — CID 165366424

IUPACN-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide
SMILESCCCCCCCCOCCOCCSCC(=O)Nc1c(C)ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c1C
InChIInChI=1S/C29H44N4O6S2/c1-4-5-6-7-8-9-16-38-17-18-39-19-20-40-21-28(35)31-29-23(2)10-15-27(24(29)3)41(36,37)33-26-13-11-25(12-14-26)32-30-22-34/h10-15,22,32-33H,4-9,16-21H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyFZFIYLYUGSOSCK-UHFFFAOYSA-N
MW608.83 g/mol
LogP5.24
Rot. Bonds22

About N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide

N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide (PubChem CID 165366424) has the molecular formula C29H44N4O6S2 and a molecular weight of 608.83 g/mol. Its IUPAC name is N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide
PubChem CID165366424
Molecular FormulaC29H44N4O6S2
Molecular Weight608.83 g/mol
Exact Mass608.27
IUPAC NameN-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide
SMILESCCCCCCCCOCCOCCSCC(=O)Nc1c(C)ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c1C
InChIInChI=1S/C29H44N4O6S2/c1-4-5-6-7-8-9-16-38-17-18-39-19-20-40-21-28(35)31-29-23(2)10-15-27(24(29)3)41(36,37)33-26-13-11-25(12-14-26)32-30-22-34/h10-15,22,32-33H,4-9,16-21H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyFZFIYLYUGSOSCK-UHFFFAOYSA-N
XLogP5.24
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.83
LogP ≤ 55.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide (CID 165366424) is N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide is CCCCCCCCOCCOCCSCC(=O)Nc1c(C)ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c1C.
What is the InChIKey of N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide?
The InChIKey is FZFIYLYUGSOSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O6S2/c1-4-5-6-7-8-9-16-38-17-18-39-19-20-40-21-28(35)31-29-23(2)10-15-27(24(29)3)41(36,37)33-26-13-11-25(12-14-26)32-30-22-34/h10-15,22,32-33H,4-9,16-21H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide?
N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide has a molecular weight of 608.83 g/mol, XLogP of 5.24, 22 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]-2-[2-(2-octoxyethoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 165366424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).