N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide

C17H18N2O2S — CID 883609

IUPACN-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1cc(C)ccc1C
InChIInChI=1S/C17H18N2O2S/c1-11-8-9-12(2)14(10-11)18-17(22)19-16(20)13-6-4-5-7-15(13)21-3/h4-10H,1-3H3,(H2,18,19,20,22)
InChIKeyXGXMCPSVUWWFCS-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.44
Rot. Bonds3

About N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide

N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide (PubChem CID 883609) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
PubChem CID883609
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1cc(C)ccc1C
InChIInChI=1S/C17H18N2O2S/c1-11-8-9-12(2)14(10-11)18-17(22)19-16(20)13-6-4-5-7-15(13)21-3/h4-10H,1-3H3,(H2,18,19,20,22)
InChIKeyXGXMCPSVUWWFCS-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945827
2-methoxy-N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 22779464
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-[(2,5-dimethylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1139114
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
2-[(2-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945297
2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 4926717
4-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 17103874
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1322242
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxybenzamide
CID 881943

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide?
The IUPAC name of N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide (CID 883609) is N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=S)Nc1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide?
The InChIKey is XGXMCPSVUWWFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-8-9-12(2)14(10-11)18-17(22)19-16(20)13-6-4-5-7-15(13)21-3/h4-10H,1-3H3,(H2,18,19,20,22).
What are the key properties of N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide?
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide has a molecular weight of 314.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide is sourced from PubChem (CID 883609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).