N-(benzylcarbamothioyl)-4-methoxybenzamide

C16H16N2O2S — CID 920618

IUPACN-(benzylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-9-7-13(8-10-14)15(19)18-16(21)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,21)
InChIKeySWDLKHIZOBMHOX-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.50
Rot. Bonds4

About N-(benzylcarbamothioyl)-4-methoxybenzamide

N-(benzylcarbamothioyl)-4-methoxybenzamide (PubChem CID 920618) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(benzylcarbamothioyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(benzylcarbamothioyl)-4-methoxybenzamide
PubChem CID920618
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(benzylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-9-7-13(8-10-14)15(19)18-16(21)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,21)
InChIKeySWDLKHIZOBMHOX-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(benzylcarbamothioyl)-4-methoxybenzamide 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-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353739
N-(benzylcarbamothioyl)benzamide
CID 700976
N-[(4-methoxyphenyl)methylcarbamothioyl]-4-propan-2-ylbenzamide
CID 17230602
N-[(2-bromophenyl)methylcarbamothioyl]-4-methoxybenzamide
CID 3760791
N-(benzylcarbamothioyl)-4-heptoxybenzamide
CID 4950896
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 9478975
N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
CID 4266550
4-hexoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230544
4-[[(3,5-dimethoxybenzoyl)carbamothioylamino]methyl]benzoic acid
CID 28688527
N-(benzylcarbamothioyl)-3-iodo-4-methoxybenzamide
CID 4633496
N-[(benzylcarbamothioylamino)carbamothioyl]-4-methylbenzamide
CID 2467344
4-methoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17233680

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamothioyl)-4-methoxybenzamide?
The IUPAC name of N-(benzylcarbamothioyl)-4-methoxybenzamide (CID 920618) is N-(benzylcarbamothioyl)-4-methoxybenzamide.
What is the SMILES notation for N-(benzylcarbamothioyl)-4-methoxybenzamide?
The canonical SMILES for N-(benzylcarbamothioyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1.
What is the InChIKey of N-(benzylcarbamothioyl)-4-methoxybenzamide?
The InChIKey is SWDLKHIZOBMHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-14-9-7-13(8-10-14)15(19)18-16(21)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,21).
What are the key properties of N-(benzylcarbamothioyl)-4-methoxybenzamide?
N-(benzylcarbamothioyl)-4-methoxybenzamide has a molecular weight of 300.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamothioyl)-4-methoxybenzamide is sourced from PubChem (CID 920618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).