4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide

C19H23N3O2S — CID 8500043

IUPAC4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=S)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-20-18(23)16-8-4-15(5-9-16)13-22(2)19(25)21-12-14-6-10-17(24-3)11-7-14/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyAAMWBLNZGDKRKI-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.56
Rot. Bonds6

About 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide

4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 8500043) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide
PubChem CID8500043
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=S)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-20-18(23)16-8-4-15(5-9-16)13-22(2)19(25)21-12-14-6-10-17(24-3)11-7-14/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyAAMWBLNZGDKRKI-UHFFFAOYSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide 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

1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-1-methylthiourea
CID 8770326
3-[(4-methoxyphenyl)methyl]-1,1-dimethylthiourea
CID 15366755
1-[(4-methoxyphenyl)methyl]-1-methyl-3-propylthiourea
CID 113218431
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
1-[(2-bromophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-methylthiourea
CID 8768682
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
4-[[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003189
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 95625779
N-(2-amino-2-oxoethyl)-4-[[[N-[(4-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]benzamide
CID 111272417
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
N-[bis[(4-methoxyphenyl)methyl]carbamothioyl]-4-chlorobenzamide
CID 87073657

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide (CID 8500043) is 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(=S)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is AAMWBLNZGDKRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-20-18(23)16-8-4-15(5-9-16)13-22(2)19(25)21-12-14-6-10-17(24-3)11-7-14/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide?
4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 357.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)methylcarbamothioyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 8500043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).