4-iodo-N-(5-methylsulfanylpentyl)benzamide

C13H18INOS — CID 104920149

IUPAC4-iodo-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INOS/c1-17-10-4-2-3-9-15-13(16)11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyVULIVNVEZFOZCE-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.55
Rot. Bonds7

About 4-iodo-N-(5-methylsulfanylpentyl)benzamide

4-iodo-N-(5-methylsulfanylpentyl)benzamide (PubChem CID 104920149) has the molecular formula C13H18INOS and a molecular weight of 363.26 g/mol. Its IUPAC name is 4-iodo-N-(5-methylsulfanylpentyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(5-methylsulfanylpentyl)benzamide
PubChem CID104920149
Molecular FormulaC13H18INOS
Molecular Weight363.26 g/mol
Exact Mass363.02
IUPAC Name4-iodo-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C13H18INOS/c1-17-10-4-2-3-9-15-13(16)11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyVULIVNVEZFOZCE-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
4-bromo-N-(3-methylsulfanylpropyl)benzamide
CID 63959814
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765617

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(5-methylsulfanylpentyl)benzamide?
The IUPAC name of 4-iodo-N-(5-methylsulfanylpentyl)benzamide (CID 104920149) is 4-iodo-N-(5-methylsulfanylpentyl)benzamide.
What is the SMILES notation for 4-iodo-N-(5-methylsulfanylpentyl)benzamide?
The canonical SMILES for 4-iodo-N-(5-methylsulfanylpentyl)benzamide is CSCCCCCNC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(5-methylsulfanylpentyl)benzamide?
The InChIKey is VULIVNVEZFOZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INOS/c1-17-10-4-2-3-9-15-13(16)11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of 4-iodo-N-(5-methylsulfanylpentyl)benzamide?
4-iodo-N-(5-methylsulfanylpentyl)benzamide has a molecular weight of 363.26 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(5-methylsulfanylpentyl)benzamide is sourced from PubChem (CID 104920149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).