4-chloro-N-(2-methylpropylcarbamothioyl)benzamide

C12H15ClN2OS — CID 2255031

IUPAC4-chloro-N-(2-methylpropylcarbamothioyl)benzamide
SMILESCC(C)CNC(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2OS/c1-8(2)7-14-12(17)15-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeySTHGYDPUKPWQSD-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.60
Rot. Bonds3

About 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide

4-chloro-N-(2-methylpropylcarbamothioyl)benzamide (PubChem CID 2255031) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylpropylcarbamothioyl)benzamide
PubChem CID2255031
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name4-chloro-N-(2-methylpropylcarbamothioyl)benzamide
SMILESCC(C)CNC(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2OS/c1-8(2)7-14-12(17)15-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeySTHGYDPUKPWQSD-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide?
The IUPAC name of 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide (CID 2255031) is 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide is CC(C)CNC(=S)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide?
The InChIKey is STHGYDPUKPWQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-8(2)7-14-12(17)15-11(16)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide?
4-chloro-N-(2-methylpropylcarbamothioyl)benzamide has a molecular weight of 270.79 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylpropylcarbamothioyl)benzamide is sourced from PubChem (CID 2255031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).