N-(2-carbamothioyl-3-methylphenyl)benzamide

C15H14N2OS — CID 107805642

IUPACN-(2-carbamothioyl-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2)c1C(N)=S
InChIInChI=1S/C15H14N2OS/c1-10-6-5-9-12(13(10)14(16)19)17-15(18)11-7-3-2-4-8-11/h2-9H,1H3,(H2,16,19)(H,17,18)
InChIKeyFQYARQISRKGQAI-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.88
Rot. Bonds3

About N-(2-carbamothioyl-3-methylphenyl)benzamide

N-(2-carbamothioyl-3-methylphenyl)benzamide (PubChem CID 107805642) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)benzamide
PubChem CID107805642
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2)c1C(N)=S
InChIInChI=1S/C15H14N2OS/c1-10-6-5-9-12(13(10)14(16)19)17-15(18)11-7-3-2-4-8-11/h2-9H,1H3,(H2,16,19)(H,17,18)
InChIKeyFQYARQISRKGQAI-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 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 ≤ 52.88
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

(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
N-(2-carbamothioyl-3-methylphenyl)pyridazine-4-carboxamide
CID 107805688
N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 107805578
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
CID 107805757
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 107805614
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 107805517
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)benzamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)benzamide (CID 107805642) is N-(2-carbamothioyl-3-methylphenyl)benzamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)benzamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)benzamide?
The InChIKey is FQYARQISRKGQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-6-5-9-12(13(10)14(16)19)17-15(18)11-7-3-2-4-8-11/h2-9H,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)benzamide?
N-(2-carbamothioyl-3-methylphenyl)benzamide has a molecular weight of 270.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)benzamide is sourced from PubChem (CID 107805642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).