N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide

C17H18N2OS — CID 62105375

IUPACN-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1cccc(C)c1C
InChIInChI=1S/C17H18N2OS/c1-10-5-4-6-14(12(10)3)17(20)19-15-9-13(16(18)21)8-7-11(15)2/h4-9H,1-3H3,(H2,18,21)(H,19,20)
InChIKeyOVIWJSXBRYLGIJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.50
Rot. Bonds3

About N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide

N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide (PubChem CID 62105375) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
PubChem CID62105375
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1cccc(C)c1C
InChIInChI=1S/C17H18N2OS/c1-10-5-4-6-14(12(10)3)17(20)19-15-9-13(16(18)21)8-7-11(15)2/h4-9H,1-3H3,(H2,18,21)(H,19,20)
InChIKeyOVIWJSXBRYLGIJ-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.50
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-methylbenzamide
CID 62103338
N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
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)-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
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide (CID 62105375) is N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide is Cc1ccc(C(N)=S)cc1NC(=O)c1cccc(C)c1C.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide?
The InChIKey is OVIWJSXBRYLGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-10-5-4-6-14(12(10)3)17(20)19-15-9-13(16(18)21)8-7-11(15)2/h4-9H,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide?
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 3.50, 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)-2,3-dimethylbenzamide is sourced from PubChem (CID 62105375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).