N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide

C22H20N2O2S — CID 1345142

IUPACN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H20N2O2S/c1-15-12-13-19(25)18(14-15)23-22(27)24-21(26)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20,25H,1H3,(H2,23,24,26,27)
InChIKeyHUGDYBAKVILSCQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.35
Rot. Bonds4

About N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide

N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide (PubChem CID 1345142) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
PubChem CID1345142
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H20N2O2S/c1-15-12-13-19(25)18(14-15)23-22(27)24-21(26)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20,25H,1H3,(H2,23,24,26,27)
InChIKeyHUGDYBAKVILSCQ-UHFFFAOYSA-N
XLogP4.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.35
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'}

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Related Compounds

N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 21212588
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-phenylpropanamide
CID 916916
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 5228979
2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151042
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
1-(2-hydroxy-5-methylphenyl)-3-methylthiourea
CID 12751497
N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4631515
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 7325857
N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 17099665
N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1346261

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide (CID 1345142) is N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide is Cc1ccc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is HUGDYBAKVILSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-12-13-19(25)18(14-15)23-22(27)24-21(26)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20,25H,1H3,(H2,23,24,26,27).
What are the key properties of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide?
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 376.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 1345142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).