N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide

C16H16N2OS — CID 62103338

IUPACN-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C16H16N2OS/c1-10-5-3-4-6-13(10)16(19)18-14-9-12(15(17)20)8-7-11(14)2/h3-9H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyCZGPXARBPATLFV-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.19
Rot. Bonds3

About N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide

N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide (PubChem CID 62103338) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
PubChem CID62103338
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C16H16N2OS/c1-10-5-3-4-6-13(10)16(19)18-14-9-12(15(17)20)8-7-11(14)2/h3-9H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyCZGPXARBPATLFV-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.19
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-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375
N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
CID 62515366
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026
N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238953
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107014898
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
CID 107789633
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide (CID 62103338) is N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide is Cc1ccc(C(N)=S)cc1NC(=O)c1ccccc1C.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide?
The InChIKey is CZGPXARBPATLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-5-3-4-6-13(10)16(19)18-14-9-12(15(17)20)8-7-11(14)2/h3-9H,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide?
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 62103338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).