N-(benzylcarbamothioyl)benzamide

C15H14N2OS — CID 700976

IUPACN-(benzylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18,19)
InChIKeyGKQAXDYFHYRLSD-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.49
Rot. Bonds3

About N-(benzylcarbamothioyl)benzamide

N-(benzylcarbamothioyl)benzamide (PubChem CID 700976) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(benzylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(benzylcarbamothioyl)benzamide
PubChem CID700976
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(benzylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18,19)
InChIKeyGKQAXDYFHYRLSD-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.49
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

N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
N-[(benzylcarbamothioylamino)carbamothioyl]-4-fluorobenzamide
CID 142756981
N-[(benzylcarbamothioylamino)carbamothioyl]-4-methylbenzamide
CID 2467344
N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353739
2-(benzoylcarbamothioylamino)-N-benzylbenzamide
CID 4930615
N-[[benzylcarbamothioyl(methyl)amino]carbamothioyl]benzamide
CID 14221143
N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]benzamide
CID 139663825
N-(benzylcarbamothioyl)-2-iodobenzamide
CID 2198373
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
N-(benzylcarbamothioyl)-4-heptoxybenzamide
CID 4950896
N-(benzylcarbamothioyl)-3-butan-2-yloxybenzamide
CID 17150022
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamothioyl)benzamide?
The IUPAC name of N-(benzylcarbamothioyl)benzamide (CID 700976) is N-(benzylcarbamothioyl)benzamide.
What is the SMILES notation for N-(benzylcarbamothioyl)benzamide?
The canonical SMILES for N-(benzylcarbamothioyl)benzamide is O=C(NC(=S)NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzylcarbamothioyl)benzamide?
The InChIKey is GKQAXDYFHYRLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-14(13-9-5-2-6-10-13)17-15(19)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18,19).
What are the key properties of N-(benzylcarbamothioyl)benzamide?
N-(benzylcarbamothioyl)benzamide has a molecular weight of 270.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamothioyl)benzamide is sourced from PubChem (CID 700976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).