N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide

C17H18N2O4S — CID 954654

IUPACN-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C)cc1O
InChIInChI=1S/C17H18N2O4S/c1-10-7-8-11(12(20)9-10)18-17(24)19-16(21)15-13(22-2)5-4-6-14(15)23-3/h4-9,20H,1-3H3,(H2,18,19,21,24)
InChIKeyLAHLZZIWNJAHBL-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.84
Rot. Bonds4

About N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide

N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide (PubChem CID 954654) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
PubChem CID954654
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C)cc1O
InChIInChI=1S/C17H18N2O4S/c1-10-7-8-11(12(20)9-10)18-17(24)19-16(21)15-13(22-2)5-4-6-14(15)23-3/h4-9,20H,1-3H3,(H2,18,19,21,24)
InChIKeyLAHLZZIWNJAHBL-UHFFFAOYSA-N
XLogP2.84
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide 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-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954653
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3,4-dimethoxybenzamide
CID 885130
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-methylbenzamide
CID 884861
3-chloro-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]benzamide
CID 884998
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 23096587
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 1292820
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-2,6-dimethoxybenzamide
CID 17099481
2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 954556
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]-3-methylbenzamide
CID 7325861
N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 17335731

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide (CID 954654) is N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C)cc1O.
What is the InChIKey of N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide?
The InChIKey is LAHLZZIWNJAHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10-7-8-11(12(20)9-10)18-17(24)19-16(21)15-13(22-2)5-4-6-14(15)23-3/h4-9,20H,1-3H3,(H2,18,19,21,24).
What are the key properties of N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide?
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide has a molecular weight of 346.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 954654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).