N-[benzyl(methyl)carbamothioyl]benzamide

C16H16N2OS — CID 3742197

IUPACN-[benzyl(methyl)carbamothioyl]benzamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-18(12-13-8-4-2-5-9-13)16(20)17-15(19)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,19,20)
InChIKeyTUBAJWJWSVWCBS-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.83
Rot. Bonds3

About N-[benzyl(methyl)carbamothioyl]benzamide

N-[benzyl(methyl)carbamothioyl]benzamide (PubChem CID 3742197) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[benzyl(methyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[benzyl(methyl)carbamothioyl]benzamide
PubChem CID3742197
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[benzyl(methyl)carbamothioyl]benzamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1
InChIInChI=1S/C16H16N2OS/c1-18(12-13-8-4-2-5-9-13)16(20)17-15(19)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,19,20)
InChIKeyTUBAJWJWSVWCBS-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.83
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]benzamide?
The IUPAC name of N-[benzyl(methyl)carbamothioyl]benzamide (CID 3742197) is N-[benzyl(methyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[benzyl(methyl)carbamothioyl]benzamide?
The canonical SMILES for N-[benzyl(methyl)carbamothioyl]benzamide is CN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[benzyl(methyl)carbamothioyl]benzamide?
The InChIKey is TUBAJWJWSVWCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-18(12-13-8-4-2-5-9-13)16(20)17-15(19)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,17,19,20).
What are the key properties of N-[benzyl(methyl)carbamothioyl]benzamide?
N-[benzyl(methyl)carbamothioyl]benzamide has a molecular weight of 284.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)carbamothioyl]benzamide is sourced from PubChem (CID 3742197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).