4-iodo-N-(2-methylsulfanylphenyl)benzamide

C14H12INOS — CID 2238716

IUPAC4-iodo-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H12INOS/c1-18-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,16,17)
InChIKeyJNRCFHZIERTRPQ-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.27
Rot. Bonds3

About 4-iodo-N-(2-methylsulfanylphenyl)benzamide

4-iodo-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 2238716) has the molecular formula C14H12INOS and a molecular weight of 369.23 g/mol. Its IUPAC name is 4-iodo-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(2-methylsulfanylphenyl)benzamide
PubChem CID2238716
Molecular FormulaC14H12INOS
Molecular Weight369.23 g/mol
Exact Mass368.97
IUPAC Name4-iodo-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H12INOS/c1-18-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,16,17)
InChIKeyJNRCFHZIERTRPQ-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.27
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

4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 25348450
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 41318735
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465229

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-iodo-N-(2-methylsulfanylphenyl)benzamide (CID 2238716) is 4-iodo-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-iodo-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-iodo-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is JNRCFHZIERTRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INOS/c1-18-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,16,17).
What are the key properties of 4-iodo-N-(2-methylsulfanylphenyl)benzamide?
4-iodo-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 369.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 2238716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).