N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide

C21H18N2O2S — CID 4630986

IUPACN-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-18-13-11-17(12-14-18)22-21(26)23-20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,24H,(H2,22,23,25,26)
InChIKeyHGQBZRISOBNTOY-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.04
Rot. Bonds4

About N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide

N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide (PubChem CID 4630986) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
PubChem CID4630986
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O2S/c24-18-13-11-17(12-14-18)22-21(26)23-20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,24H,(H2,22,23,25,26)
InChIKeyHGQBZRISOBNTOY-UHFFFAOYSA-N
XLogP4.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111
N-[[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]carbamothioyl]propanamide
CID 4634604
methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
CID 1048113
2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide
CID 1300022
2-chloro-5-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 1329168
N-[(3,4-dimethoxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 54781270
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4940733
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
N-[(3-bromophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 17252411
N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1346261
N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4631517
N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4631515

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide (CID 4630986) is N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide is O=C(NC(=S)Nc1ccc(O)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is HGQBZRISOBNTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-18-13-11-17(12-14-18)22-21(26)23-20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,24H,(H2,22,23,25,26).
What are the key properties of N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide?
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 362.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4630986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).