3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide

C24H26N4O4S — CID 88882873

IUPAC3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide
SMILESCOc1cc(C(=O)NC(=S)Nc2ccc(C)c(NNc3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O4S/c1-15-10-11-18(14-19(15)28-27-17-8-6-5-7-9-17)25-24(33)26-23(29)16-12-20(30-2)22(32-4)21(13-16)31-3/h5-14,27-28H,1-4H3,(H2,25,26,29,33)
InChIKeyVCSAXHCCRINMFU-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.59
Rot. Bonds8

About 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide

3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide (PubChem CID 88882873) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide
PubChem CID88882873
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide
SMILESCOc1cc(C(=O)NC(=S)Nc2ccc(C)c(NNc3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O4S/c1-15-10-11-18(14-19(15)28-27-17-8-6-5-7-9-17)25-24(33)26-23(29)16-12-20(30-2)22(32-4)21(13-16)31-3/h5-14,27-28H,1-4H3,(H2,25,26,29,33)
InChIKeyVCSAXHCCRINMFU-UHFFFAOYSA-N
XLogP4.59
TPSA92.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]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

N-[(3,4-dimethylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1139112
N-[(3-fluoro-4-methylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 2731090
N-[(2,5-dimethylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1139114
N-[(3-acetylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 2279251
N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3737326
3-methyl-4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoic acid
CID 28688499
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3934727
3,4,5-trimethoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067082
3,4-dimethoxy-N-(phenylcarbamothioyl)benzamide
CID 815886
3,4,5-trimethoxy-N-[N-[4-methyl-3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamimidoyl]benzamide
CID 137136307
4-ethoxy-3,5-dimethoxy-N-[[4-methyl-3-[[(3Z,5Z)-octa-3,5-dienoyl]amino]phenyl]carbamothioyl]benzamide
CID 130413485
N-[(2-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5172361

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide (CID 88882873) is 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide is COc1cc(C(=O)NC(=S)Nc2ccc(C)c(NNc3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide?
The InChIKey is VCSAXHCCRINMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15-10-11-18(14-19(15)28-27-17-8-6-5-7-9-17)25-24(33)26-23(29)16-12-20(30-2)22(32-4)21(13-16)31-3/h5-14,27-28H,1-4H3,(H2,25,26,29,33).
What are the key properties of 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide?
3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.59, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[4-methyl-3-(2-phenylhydrazinyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 88882873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).