3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide

C15H14INOS — CID 47380861

IUPAC3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C15H14INOS/c1-19-14-7-5-11(6-8-14)10-17-15(18)12-3-2-4-13(16)9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBMZZPFROLZQSFV-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.94
Rot. Bonds4

About 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide

3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 47380861) has the molecular formula C15H14INOS and a molecular weight of 383.25 g/mol. Its IUPAC name is 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID47380861
Molecular FormulaC15H14INOS
Molecular Weight383.25 g/mol
Exact Mass382.98
IUPAC Name3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C15H14INOS/c1-19-14-7-5-11(6-8-14)10-17-15(18)12-3-2-4-13(16)9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBMZZPFROLZQSFV-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.94
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

N-[(4-acetamidophenyl)methyl]-3-iodobenzamide
CID 30380398
3-iodo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 18204122
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-iodobenzamide
CID 31217494
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
CID 76932775
3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119908
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
(3S)-N-methyl-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872985

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 47380861) is 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CNC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is BMZZPFROLZQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INOS/c1-19-14-7-5-11(6-8-14)10-17-15(18)12-3-2-4-13(16)9-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide?
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 383.25 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 47380861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).