N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide

C22H18Cl2N2OS — CID 46762705

IUPACN-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide
SMILESO=C(NC(=S)NCc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18Cl2N2OS/c23-18-12-11-17(19(24)13-18)14-25-22(28)26-21(27)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H2,25,26,27,28)
InChIKeyPVVITLMUMNRPSN-UHFFFAOYSA-N
MW429.37 g/mol
LogP5.32
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide

N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide (PubChem CID 46762705) has the molecular formula C22H18Cl2N2OS and a molecular weight of 429.37 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide
PubChem CID46762705
Molecular FormulaC22H18Cl2N2OS
Molecular Weight429.37 g/mol
Exact Mass428.05
IUPAC NameN-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide
SMILESO=C(NC(=S)NCc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18Cl2N2OS/c23-18-12-11-17(19(24)13-18)14-25-22(28)26-21(27)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H2,25,26,27,28)
InChIKeyPVVITLMUMNRPSN-UHFFFAOYSA-N
XLogP5.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782762
1-[(2-bromophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]thiourea
CID 3823326
N-[(2,4-dichlorophenyl)methylcarbamothioyl]pentanamide
CID 46762734
2-phenylethyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxobutanoate
CID 46762743
N-(benzylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 5188319
N-[(2,4-dichlorophenyl)methylcarbamothioyl]-3,5-dinitrobenzamide
CID 46762701
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl]thiourea
CID 3574054
2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone
CID 134096147
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide (CID 46762705) is N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide is O=C(NC(=S)NCc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide?
The InChIKey is PVVITLMUMNRPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2OS/c23-18-12-11-17(19(24)13-18)14-25-22(28)26-21(27)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H2,25,26,27,28).
What are the key properties of N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide?
N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide has a molecular weight of 429.37 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylcarbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 46762705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).