N-(dipropylcarbamothioyl)-4-phenylbenzamide

C20H24N2OS — CID 2224292

IUPACN-(dipropylcarbamothioyl)-4-phenylbenzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2OS/c1-3-14-22(15-4-2)20(24)21-19(23)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23,24)
InChIKeyFNPLGUOFZNEWCZ-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.49
Rot. Bonds6

About N-(dipropylcarbamothioyl)-4-phenylbenzamide

N-(dipropylcarbamothioyl)-4-phenylbenzamide (PubChem CID 2224292) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(dipropylcarbamothioyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(dipropylcarbamothioyl)-4-phenylbenzamide
PubChem CID2224292
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-(dipropylcarbamothioyl)-4-phenylbenzamide
SMILESCCCN(CCC)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2OS/c1-3-14-22(15-4-2)20(24)21-19(23)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23,24)
InChIKeyFNPLGUOFZNEWCZ-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
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 N-(dipropylcarbamothioyl)-4-phenylbenzamide?
The IUPAC name of N-(dipropylcarbamothioyl)-4-phenylbenzamide (CID 2224292) is N-(dipropylcarbamothioyl)-4-phenylbenzamide.
What is the SMILES notation for N-(dipropylcarbamothioyl)-4-phenylbenzamide?
The canonical SMILES for N-(dipropylcarbamothioyl)-4-phenylbenzamide is CCCN(CCC)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(dipropylcarbamothioyl)-4-phenylbenzamide?
The InChIKey is FNPLGUOFZNEWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-3-14-22(15-4-2)20(24)21-19(23)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,23,24).
What are the key properties of N-(dipropylcarbamothioyl)-4-phenylbenzamide?
N-(dipropylcarbamothioyl)-4-phenylbenzamide has a molecular weight of 340.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipropylcarbamothioyl)-4-phenylbenzamide is sourced from PubChem (CID 2224292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).