N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide

C33H49F3N4O8S2 — CID 22895582

IUPACN-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide
SMILESCCCCCCCCOCCOCCOCCOCCSCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(NNC(=O)C(F)(F)F)cc2)ccc1C
InChIInChI=1S/C33H49F3N4O8S2/c1-3-4-5-6-7-8-15-45-16-17-46-18-19-47-20-21-48-22-23-49-25-31(41)37-30-24-29(14-9-26(30)2)50(43,44)40-28-12-10-27(11-13-28)38-39-32(42)33(34,35)36/h9-14,24,38,40H,3-8,15-23,25H2,1-2H3,(H,37,41)(H,39,42)
InChIKeyATWRMZWFAFGZJG-UHFFFAOYSA-N
MW750.90 g/mol
LogP5.90
Rot. Bonds27

About N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide

N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide (PubChem CID 22895582) has the molecular formula C33H49F3N4O8S2 and a molecular weight of 750.90 g/mol. Its IUPAC name is N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide
PubChem CID22895582
Molecular FormulaC33H49F3N4O8S2
Molecular Weight750.90 g/mol
Exact Mass750.29
IUPAC NameN-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide
SMILESCCCCCCCCOCCOCCOCCOCCSCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(NNC(=O)C(F)(F)F)cc2)ccc1C
InChIInChI=1S/C33H49F3N4O8S2/c1-3-4-5-6-7-8-15-45-16-17-46-18-19-47-20-21-48-22-23-49-25-31(41)37-30-24-29(14-9-26(30)2)50(43,44)40-28-12-10-27(11-13-28)38-39-32(42)33(34,35)36/h9-14,24,38,40H,3-8,15-23,25H2,1-2H3,(H,37,41)(H,39,42)
InChIKeyATWRMZWFAFGZJG-UHFFFAOYSA-N
XLogP5.90
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 55.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]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-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide?
The IUPAC name of N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide (CID 22895582) is N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide?
The canonical SMILES for N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide is CCCCCCCCOCCOCCOCCOCCSCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(NNC(=O)C(F)(F)F)cc2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide?
The InChIKey is ATWRMZWFAFGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49F3N4O8S2/c1-3-4-5-6-7-8-15-45-16-17-46-18-19-47-20-21-48-22-23-49-25-31(41)37-30-24-29(14-9-26(30)2)50(43,44)40-28-12-10-27(11-13-28)38-39-32(42)33(34,35)36/h9-14,24,38,40H,3-8,15-23,25H2,1-2H3,(H,37,41)(H,39,42).
What are the key properties of N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide?
N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide has a molecular weight of 750.90 g/mol, XLogP of 5.90, 27 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]-2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]acetamide is sourced from PubChem (CID 22895582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).