2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide

C15H14INOS — CID 47188193

IUPAC2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(C)c1I
InChIInChI=1S/C15H14INOS/c1-10-6-5-7-11(14(10)16)15(18)17-12-8-3-4-9-13(12)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyQFUINSHJLXDBOR-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.57
Rot. Bonds3

About 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide

2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 47188193) has the molecular formula C15H14INOS and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID47188193
Molecular FormulaC15H14INOS
Molecular Weight383.25 g/mol
Exact Mass382.98
IUPAC Name2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(C)c1I
InChIInChI=1S/C15H14INOS/c1-10-6-5-7-11(14(10)16)15(18)17-12-8-3-4-9-13(12)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyQFUINSHJLXDBOR-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide
CID 75477996
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
methyl 2-methyl-3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2980681
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
6-methyl-N-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 87009467

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide (CID 47188193) is 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1cccc(C)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is QFUINSHJLXDBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INOS/c1-10-6-5-7-11(14(10)16)15(18)17-12-8-3-4-9-13(12)19-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide?
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 383.25 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 47188193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).