N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide

C22H20N2O2S — CID 4956814

IUPACN-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide
SMILESO=C(NC(=S)Nc1ccccc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2S/c25-21(24-22(27)23-19-9-5-2-6-10-19)18-11-13-20(14-12-18)26-16-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H2,23,24,25,27)
InChIKeyZRKOCHTWRBVMOC-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.43
Rot. Bonds6

About N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide

N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide (PubChem CID 4956814) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide
PubChem CID4956814
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide
SMILESO=C(NC(=S)Nc1ccccc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2S/c25-21(24-22(27)23-19-9-5-2-6-10-19)18-11-13-20(14-12-18)26-16-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H2,23,24,25,27)
InChIKeyZRKOCHTWRBVMOC-UHFFFAOYSA-N
XLogP4.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.43
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

4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 4956828
N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956797
4-fluoro-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067103
N-phenyl-2-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 4956837
4-heptoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067139
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956992
4-(2-phenylethoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188641
N-cyclohexyl-4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 28587936
N-ethyl-3-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 17230963
4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43887345
3,4,5-trimethoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067082
3-(2-phenoxyethoxy)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142352

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide?
The IUPAC name of N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide (CID 4956814) is N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide is O=C(NC(=S)Nc1ccccc1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide?
The InChIKey is ZRKOCHTWRBVMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-21(24-22(27)23-19-9-5-2-6-10-19)18-11-13-20(14-12-18)26-16-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H2,23,24,25,27).
What are the key properties of N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide?
N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide has a molecular weight of 376.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 4956814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).