N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide

C17H18N2OS — CID 88874738

IUPACN-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide
SMILESCc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2OS/c1-13-7-9-14(10-8-13)11-12-18-17(21)19-16(20)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,18,19,20,21)
InChIKeyLPKMDUZXHLTFCH-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide

N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide (PubChem CID 88874738) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide
PubChem CID88874738
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide
SMILESCc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2OS/c1-13-7-9-14(10-8-13)11-12-18-17(21)19-16(20)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,18,19,20,21)
InChIKeyLPKMDUZXHLTFCH-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide 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-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
CID 4266550
4-cyano-N-(2-phenylethylcarbamothioyl)benzamide
CID 22908154
2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659061
N-(3-hydroxypropylcarbamothioyl)benzamide
CID 4927187
N-(benzylcarbamothioyl)benzamide
CID 700976
N-[(benzylcarbamothioylamino)carbamothioyl]-4-methylbenzamide
CID 2467344
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
N-[1-(2-fluorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 3104296
3-butan-2-yloxy-N-(2-phenylethylcarbamothioyl)benzamide
CID 17149973
4-methyl-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191397

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide?
The IUPAC name of N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide (CID 88874738) is N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide is Cc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide?
The InChIKey is LPKMDUZXHLTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13-7-9-14(10-8-13)11-12-18-17(21)19-16(20)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,18,19,20,21).
What are the key properties of N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide?
N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide has a molecular weight of 298.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide is sourced from PubChem (CID 88874738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).