N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide

C23H20N2O2S — CID 1346261

IUPACN-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCC(=O)c1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H20N2O2S/c1-16(26)19-13-8-14-20(15-19)24-23(28)25-22(27)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H2,24,25,27,28)
InChIKeyLHGPSHSNVZUMOJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.53
Rot. Bonds5

About N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide

N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide (PubChem CID 1346261) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide
PubChem CID1346261
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide
SMILESCC(=O)c1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H20N2O2S/c1-16(26)19-13-8-14-20(15-19)24-23(28)25-22(27)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H2,24,25,27,28)
InChIKeyLHGPSHSNVZUMOJ-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,2-diphenylacetyl)carbamothioylamino]-N-methylbenzamide
CID 17233208
N-[(3-bromophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 17252411
N-[3-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]-2,2-dimethylpropanamide
CID 17204695
N-[(3,4-dimethoxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 54781270
methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
CID 1048113
3-(2-methylpropanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
CID 43878011
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
2-chloro-5-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 1329168
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111
N-[[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]carbamothioyl]propanamide
CID 4634604
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
N-[(3-acetylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 916714

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide (CID 1346261) is N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide is CC(=O)c1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is LHGPSHSNVZUMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-16(26)19-13-8-14-20(15-19)24-23(28)25-22(27)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,1H3,(H2,24,25,27,28).
What are the key properties of N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide?
N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 388.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetylphenyl)carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 1346261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).