N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide

C20H25N3O3S2 — CID 2224207

IUPACN-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O3S2/c1-3-5-11-19(24)22-20(27)21-16-12-14-18(15-13-16)28(25,26)23(4-2)17-9-7-6-8-10-17/h6-10,12-15H,3-5,11H2,1-2H3,(H2,21,22,24,27)
InChIKeyJKXSAEDNTWZKQT-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.90
Rot. Bonds8

About N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide

N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide (PubChem CID 2224207) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide.

Molecular Properties

Compound NameN-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide
PubChem CID2224207
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC NameN-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O3S2/c1-3-5-11-19(24)22-20(27)21-16-12-14-18(15-13-16)28(25,26)23(4-2)17-9-7-6-8-10-17/h6-10,12-15H,3-5,11H2,1-2H3,(H2,21,22,24,27)
InChIKeyJKXSAEDNTWZKQT-UHFFFAOYSA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide 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]hexanamide
CID 4954088
N-[(4-anilinophenyl)carbamothioyl]hexanamide
CID 4954014
N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945772
N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954540
N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide
CID 4932989
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 26163250
N-[(4-acetamidophenyl)carbamothioyl]pentanamide
CID 4925620
5-bromo-2-ethoxy-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17353131
3-butan-2-yloxy-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17149974
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]octanamide
CID 4958946
N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
CID 4958602
3-(2-ethoxyethoxy)-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17139814

Frequently Asked Questions

What is the IUPAC name of N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide?
The IUPAC name of N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide (CID 2224207) is N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide.
What is the SMILES notation for N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide?
The canonical SMILES for N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide is CCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide?
The InChIKey is JKXSAEDNTWZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-3-5-11-19(24)22-20(27)21-16-12-14-18(15-13-16)28(25,26)23(4-2)17-9-7-6-8-10-17/h6-10,12-15H,3-5,11H2,1-2H3,(H2,21,22,24,27).
What are the key properties of N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide?
N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide has a molecular weight of 419.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide is sourced from PubChem (CID 2224207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).