2-(dibenzylsulfamoyl)propanethioamide

C17H20N2O2S2 — CID 130160660

IUPAC2-(dibenzylsulfamoyl)propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20N2O2S2/c1-14(17(18)22)23(20,21)19(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H2,18,22)
InChIKeyZTBDZGUXSVVIHO-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.69
Rot. Bonds7

About 2-(dibenzylsulfamoyl)propanethioamide

2-(dibenzylsulfamoyl)propanethioamide (PubChem CID 130160660) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(dibenzylsulfamoyl)propanethioamide.

Molecular Properties

Compound Name2-(dibenzylsulfamoyl)propanethioamide
PubChem CID130160660
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name2-(dibenzylsulfamoyl)propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H20N2O2S2/c1-14(17(18)22)23(20,21)19(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H2,18,22)
InChIKeyZTBDZGUXSVVIHO-UHFFFAOYSA-N
XLogP2.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dibenzylsulfamoyl)propanethioamide 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

2-[benzyl(ethyl)sulfamoyl]propanoic acid
CID 54947324
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
methyl 2-[benzyl(methyl)sulfamoyl]propanoate
CID 10038832
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
1-benzyl-1-(methanesulfonamido)thiourea
CID 87822216
bis(N-benzyl-N-propan-2-ylcarbamodithioate);cobalt(2+)
CID 172834720
N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
CID 107366466
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
1,1-dibenzylthiourea
CID 3517261
O-(dibenzylamino) carbamothioate
CID 175100548
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylsulfamoyl)propanethioamide?
The IUPAC name of 2-(dibenzylsulfamoyl)propanethioamide (CID 130160660) is 2-(dibenzylsulfamoyl)propanethioamide.
What is the SMILES notation for 2-(dibenzylsulfamoyl)propanethioamide?
The canonical SMILES for 2-(dibenzylsulfamoyl)propanethioamide is CC(C(N)=S)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylsulfamoyl)propanethioamide?
The InChIKey is ZTBDZGUXSVVIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-14(17(18)22)23(20,21)19(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H2,18,22).
What are the key properties of 2-(dibenzylsulfamoyl)propanethioamide?
2-(dibenzylsulfamoyl)propanethioamide has a molecular weight of 348.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylsulfamoyl)propanethioamide is sourced from PubChem (CID 130160660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).