N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide

C24H33N3O4S2 — CID 4945998

IUPACN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OCC(C)C)cc1
InChIInChI=1S/C24H33N3O4S2/c1-5-15-27(16-6-2)33(29,30)20-13-11-19(12-14-20)25-24(32)26-23(28)21-9-7-8-10-22(21)31-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,25,26,28,32)
InChIKeyJEEWJQGSQRNBFS-UHFFFAOYSA-N
MW491.68 g/mol
LogP4.66
Rot. Bonds11

About N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide

N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide (PubChem CID 4945998) has the molecular formula C24H33N3O4S2 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
PubChem CID4945998
Molecular FormulaC24H33N3O4S2
Molecular Weight491.68 g/mol
Exact Mass491.19
IUPAC NameN-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OCC(C)C)cc1
InChIInChI=1S/C24H33N3O4S2/c1-5-15-27(16-6-2)33(29,30)20-13-11-19(12-14-20)25-24(32)26-23(28)21-9-7-8-10-22(21)31-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,25,26,28,32)
InChIKeyJEEWJQGSQRNBFS-UHFFFAOYSA-N
XLogP4.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide 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-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355986
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045864
N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945772
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140621
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926856
5-bromo-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 17353259
ethyl 4-[[2-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate
CID 4945828
N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 4942610
5-bromo-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 17094531
[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1292592

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide (CID 4945998) is N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OCC(C)C)cc1.
What is the InChIKey of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is JEEWJQGSQRNBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S2/c1-5-15-27(16-6-2)33(29,30)20-13-11-19(12-14-20)25-24(32)26-23(28)21-9-7-8-10-22(21)31-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,25,26,28,32).
What are the key properties of N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide?
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 491.68 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4945998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).