4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide

C17H18N2OS — CID 974402

IUPAC4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide
SMILESCC(C)NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2OS/c1-12(2)18-17(21)19-16(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,18,19,20,21)
InChIKeyUYEBRADZRZXIEP-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.37
Rot. Bonds3

About 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide

4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide (PubChem CID 974402) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide
PubChem CID974402
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide
SMILESCC(C)NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2OS/c1-12(2)18-17(21)19-16(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,18,19,20,21)
InChIKeyUYEBRADZRZXIEP-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide?
The IUPAC name of 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide (CID 974402) is 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide.
What is the SMILES notation for 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide?
The canonical SMILES for 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide is CC(C)NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide?
The InChIKey is UYEBRADZRZXIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(2)18-17(21)19-16(20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide?
4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide has a molecular weight of 298.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide is sourced from PubChem (CID 974402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).