N-(2-phenylethylcarbamothioyl)benzamide

C16H16N2OS — CID 692092

IUPACN-(2-phenylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2OS/c19-15(14-9-5-2-6-10-14)18-16(20)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,17,18,19,20)
InChIKeyWTHFYGYKFAIQEO-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.53
Rot. Bonds4

About N-(2-phenylethylcarbamothioyl)benzamide

N-(2-phenylethylcarbamothioyl)benzamide (PubChem CID 692092) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-phenylethylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethylcarbamothioyl)benzamide
PubChem CID692092
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(2-phenylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N2OS/c19-15(14-9-5-2-6-10-14)18-16(20)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,17,18,19,20)
InChIKeyWTHFYGYKFAIQEO-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.53
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

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ChiRYun
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethylcarbamothioyl)benzamide?
The IUPAC name of N-(2-phenylethylcarbamothioyl)benzamide (CID 692092) is N-(2-phenylethylcarbamothioyl)benzamide.
What is the SMILES notation for N-(2-phenylethylcarbamothioyl)benzamide?
The canonical SMILES for N-(2-phenylethylcarbamothioyl)benzamide is O=C(NC(=S)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenylethylcarbamothioyl)benzamide?
The InChIKey is WTHFYGYKFAIQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-15(14-9-5-2-6-10-14)18-16(20)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H2,17,18,19,20).
What are the key properties of N-(2-phenylethylcarbamothioyl)benzamide?
N-(2-phenylethylcarbamothioyl)benzamide has a molecular weight of 284.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethylcarbamothioyl)benzamide is sourced from PubChem (CID 692092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).