N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide

C18H20N2O3S — CID 17353739

IUPACN-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-22-11-12-23-16-9-7-15(8-10-16)17(21)20-18(24)19-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,19,20,21,24)
InChIKeyIKNYDVGWWOSSOP-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.52
Rot. Bonds7

About N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide

N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide (PubChem CID 17353739) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
PubChem CID17353739
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-22-11-12-23-16-9-7-15(8-10-16)17(21)20-18(24)19-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,19,20,21,24)
InChIKeyIKNYDVGWWOSSOP-UHFFFAOYSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)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-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
N-(benzylcarbamothioyl)-4-heptoxybenzamide
CID 4950896
4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
CID 17353811
N-(benzylcarbamothioyl)benzamide
CID 700976
N-[(4-methylphenyl)methylcarbamothioyl]-4-propoxybenzamide
CID 46762058
4-hexoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230544
N-benzyl-2-[[4-(2-methoxyethoxy)benzoyl]carbamothioyl-methylamino]benzamide
CID 17353821
N-(benzylcarbamothioyl)-2-(2-phenoxyethoxy)benzamide
CID 4954593
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 54785753
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylcarbamothioyl]benzamide
CID 46762065
4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17131623
N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide
CID 4956814

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide (CID 17353739) is N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1.
What is the InChIKey of N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide?
The InChIKey is IKNYDVGWWOSSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-22-11-12-23-16-9-7-15(8-10-16)17(21)20-18(24)19-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H2,19,20,21,24).
What are the key properties of N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide?
N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17353739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).