N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide

C23H22N2O2S — CID 21212588

IUPACN-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCCc1ccc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22N2O2S/c1-2-16-13-14-20(26)19(15-16)24-23(28)25-22(27)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21,26H,2H2,1H3,(H2,24,25,27,28)
InChIKeyPZPNDDJQIWULBF-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.60
Rot. Bonds5

About N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide

N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide (PubChem CID 21212588) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
PubChem CID21212588
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCCc1ccc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22N2O2S/c1-2-16-13-14-20(26)19(15-16)24-23(28)25-22(27)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21,26H,2H2,1H3,(H2,24,25,27,28)
InChIKeyPZPNDDJQIWULBF-UHFFFAOYSA-N
XLogP4.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.60
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-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099993
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-iodobenzamide
CID 1344733
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883
3-bromo-N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 2205920
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 23855649
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
N-[[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]carbamothioyl]propanamide
CID 4634604
2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151042
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
CID 1048113
N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 17099665

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide (CID 21212588) is N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide is CCc1ccc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is PZPNDDJQIWULBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-2-16-13-14-20(26)19(15-16)24-23(28)25-22(27)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21,26H,2H2,1H3,(H2,24,25,27,28).
What are the key properties of N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide?
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 390.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 21212588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).