N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide

C33H45Cl2N3O5S3 — CID 90313060

IUPACN-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C33H45Cl2N3O5S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-32(39)36-25-26-18-20-27(21-19-26)45(40,41)37-30-23-28(34)29(35)24-31(30)38-46(42,43)33-17-15-22-44-33/h15,17-24,37-38H,2-14,16,25H2,1H3,(H,36,39)
InChIKeyAQHDDBQACZVOAR-UHFFFAOYSA-N
MW730.85 g/mol
LogP9.75
Rot. Bonds22

About N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide

N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide (PubChem CID 90313060) has the molecular formula C33H45Cl2N3O5S3 and a molecular weight of 730.85 g/mol. Its IUPAC name is N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide.

Molecular Properties

Compound NameN-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide
PubChem CID90313060
Molecular FormulaC33H45Cl2N3O5S3
Molecular Weight730.85 g/mol
Exact Mass729.19
IUPAC NameN-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C33H45Cl2N3O5S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-32(39)36-25-26-18-20-27(21-19-26)45(40,41)37-30-23-28(34)29(35)24-31(30)38-46(42,43)33-17-15-22-44-33/h15,17-24,37-38H,2-14,16,25H2,1H3,(H,36,39)
InChIKeyAQHDDBQACZVOAR-UHFFFAOYSA-N
XLogP9.75
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.85
LogP ≤ 59.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide 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-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]acetamide
CID 67970395
3-[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]propanoic acid
CID 67970147
N-[4,5-dichloro-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970196
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
methyl 3-[(butanoylamino)methyl]-5-(thiophen-2-ylsulfonylamino)benzoate
CID 118755819

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide?
The IUPAC name of N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide (CID 90313060) is N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide.
What is the SMILES notation for N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide?
The canonical SMILES for N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide?
The InChIKey is AQHDDBQACZVOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45Cl2N3O5S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-32(39)36-25-26-18-20-27(21-19-26)45(40,41)37-30-23-28(34)29(35)24-31(30)38-46(42,43)33-17-15-22-44-33/h15,17-24,37-38H,2-14,16,25H2,1H3,(H,36,39).
What are the key properties of N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide?
N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide has a molecular weight of 730.85 g/mol, XLogP of 9.75, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]methyl]hexadecanamide is sourced from PubChem (CID 90313060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).