3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide

C16H16N2O2S — CID 882848

IUPAC3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(C(=O)NC(=S)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O2S/c1-11-5-3-7-13(9-11)17-16(21)18-15(19)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeyGKIQKWLBQLZUNY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.13
Rot. Bonds3

About 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide

3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide (PubChem CID 882848) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
PubChem CID882848
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(C(=O)NC(=S)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O2S/c1-11-5-3-7-13(9-11)17-16(21)18-15(19)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeyGKIQKWLBQLZUNY-UHFFFAOYSA-N
XLogP3.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[(3-methylphenyl)carbamothioyl]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

3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 883436
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924
N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxybenzamide
CID 881943
N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 3556307
N-[(4-aminophenyl)carbamothioyl]-3-methoxybenzamide
CID 87563448
3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 17150032
N-[(3-acetylphenyl)carbamothioyl]-3,5-dimethoxybenzamide
CID 1209253
2-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxoacetamide
CID 82123593
ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate
CID 1018527
3-[(4-ethoxybenzoyl)carbamothioylamino]-N-(3-methylphenyl)benzamide
CID 26164999
3-methyl-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide
CID 17231611
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 834971

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide (CID 882848) is 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide is COc1cccc(C(=O)NC(=S)Nc2cccc(C)c2)c1.
What is the InChIKey of 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide?
The InChIKey is GKIQKWLBQLZUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-5-3-7-13(9-11)17-16(21)18-15(19)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3,(H2,17,18,19,21).
What are the key properties of 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide?
3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide has a molecular weight of 300.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 882848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).