N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide

C22H20N2O2S — CID 1344932

IUPACN-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide
SMILESCc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O2S/c1-14-12-15(2)20(25)19(13-14)23-22(27)24-21(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25H,1-2H3,(H2,23,24,26,27)
InChIKeyUXKFSNJNTUAWPD-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.80
Rot. Bonds3

About N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide

N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide (PubChem CID 1344932) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide
PubChem CID1344932
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide
SMILESCc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O2S/c1-14-12-15(2)20(25)19(13-14)23-22(27)24-21(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25H,1-2H3,(H2,23,24,26,27)
InChIKeyUXKFSNJNTUAWPD-UHFFFAOYSA-N
XLogP4.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide 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

2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1016508
4-tert-butyl-N-[(2-hydroxy-5-phenylphenyl)carbamothioyl]benzamide
CID 56600775
2-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid
CID 4505501
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-phenylbenzamide
CID 2209632
[2-(benzoylcarbamothioylamino)-4-methylphenyl]azanium
CID 142919985
N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide
CID 26164899
N-[[2-(2-methylphenyl)phenyl]carbamothioyl]benzamide
CID 15175518
N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 91674602
N-ethyl-2-[(4-phenylbenzoyl)carbamothioylamino]benzamide
CID 4949530
2-[(4-phenylbenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4945518
5-iodo-2-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid
CID 5172277
N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4952984

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide?
The IUPAC name of N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide (CID 1344932) is N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide?
The canonical SMILES for N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide is Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide?
The InChIKey is UXKFSNJNTUAWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-14-12-15(2)20(25)19(13-14)23-22(27)24-21(26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25H,1-2H3,(H2,23,24,26,27).
What are the key properties of N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide?
N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 4.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]-4-phenylbenzamide is sourced from PubChem (CID 1344932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).