N-(3-methoxypropylcarbamothioyl)benzamide

C12H16N2O2S — CID 2243953

IUPACN-(3-methoxypropylcarbamothioyl)benzamide
SMILESCOCCCNC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O2S/c1-16-9-5-8-13-12(17)14-11(15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,13,14,15,17)
InChIKeyPPJSCLGTDWTRTA-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.33
Rot. Bonds5

About N-(3-methoxypropylcarbamothioyl)benzamide

N-(3-methoxypropylcarbamothioyl)benzamide (PubChem CID 2243953) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(3-methoxypropylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropylcarbamothioyl)benzamide
PubChem CID2243953
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(3-methoxypropylcarbamothioyl)benzamide
SMILESCOCCCNC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O2S/c1-16-9-5-8-13-12(17)14-11(15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,13,14,15,17)
InChIKeyPPJSCLGTDWTRTA-UHFFFAOYSA-N
XLogP1.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropylcarbamothioyl)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 N-(3-methoxypropylcarbamothioyl)benzamide?
The IUPAC name of N-(3-methoxypropylcarbamothioyl)benzamide (CID 2243953) is N-(3-methoxypropylcarbamothioyl)benzamide.
What is the SMILES notation for N-(3-methoxypropylcarbamothioyl)benzamide?
The canonical SMILES for N-(3-methoxypropylcarbamothioyl)benzamide is COCCCNC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-(3-methoxypropylcarbamothioyl)benzamide?
The InChIKey is PPJSCLGTDWTRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-16-9-5-8-13-12(17)14-11(15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,13,14,15,17).
What are the key properties of N-(3-methoxypropylcarbamothioyl)benzamide?
N-(3-methoxypropylcarbamothioyl)benzamide has a molecular weight of 252.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropylcarbamothioyl)benzamide is sourced from PubChem (CID 2243953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).