N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide

C20H25N3O3S2 — CID 1259482

IUPACN-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H25N3O3S2/c1-20(2,3)18(24)22-19(27)21-16-10-12-17(13-11-16)28(25,26)23(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,21,22,24,27)
InChIKeyGATGGNBZVUAEFK-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.37
Rot. Bonds5

About N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide

N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide (PubChem CID 1259482) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
PubChem CID1259482
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC NameN-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H25N3O3S2/c1-20(2,3)18(24)22-19(27)21-16-10-12-17(13-11-16)28(25,26)23(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,21,22,24,27)
InChIKeyGATGGNBZVUAEFK-UHFFFAOYSA-N
XLogP3.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide 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-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 4636128
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4636066
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54784163
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide
CID 4634495
(E)-N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195645
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628345
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956802
3-phenylpropyl 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 4934609
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17112832
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739

Frequently Asked Questions

What is the IUPAC name of N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide (CID 1259482) is N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide?
The InChIKey is GATGGNBZVUAEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-20(2,3)18(24)22-19(27)21-16-10-12-17(13-11-16)28(25,26)23(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,21,22,24,27).
What are the key properties of N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide?
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide has a molecular weight of 419.57 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 1259482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).