N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide

C22H20N2OS — CID 1015208

IUPACN-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2OS/c1-24(16-17-8-4-2-5-9-17)22(26)23-21(25)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,23,25,26)
InChIKeyVTWVDZGKNMLBDQ-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.50
Rot. Bonds4

About N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide

N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide (PubChem CID 1015208) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide
PubChem CID1015208
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC NameN-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2OS/c1-24(16-17-8-4-2-5-9-17)22(26)23-21(25)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,23,25,26)
InChIKeyVTWVDZGKNMLBDQ-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.50
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-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide?
The IUPAC name of N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide (CID 1015208) is N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide.
What is the SMILES notation for N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide?
The canonical SMILES for N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide is CN(Cc1ccccc1)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide?
The InChIKey is VTWVDZGKNMLBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-24(16-17-8-4-2-5-9-17)22(26)23-21(25)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,23,25,26).
What are the key properties of N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide?
N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide has a molecular weight of 360.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide is sourced from PubChem (CID 1015208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).