N-(2-ethylsulfanylphenyl)-2-iodobenzamide

C15H14INOS — CID 47310864

IUPACN-(2-ethylsulfanylphenyl)-2-iodobenzamide
SMILESCCSc1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C15H14INOS/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10H,2H2,1H3,(H,17,18)
InChIKeyIPCGAHUYPTWSFM-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.66
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)-2-iodobenzamide

N-(2-ethylsulfanylphenyl)-2-iodobenzamide (PubChem CID 47310864) has the molecular formula C15H14INOS and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-iodobenzamide
PubChem CID47310864
Molecular FormulaC15H14INOS
Molecular Weight383.25 g/mol
Exact Mass382.98
IUPAC NameN-(2-ethylsulfanylphenyl)-2-iodobenzamide
SMILESCCSc1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C15H14INOS/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10H,2H2,1H3,(H,17,18)
InChIKeyIPCGAHUYPTWSFM-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
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-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-amino-3-chloro-N-(2-ethylsulfanylphenyl)benzamide
CID 115540166
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
CID 47267896
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-iodobenzamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-iodobenzamide (CID 47310864) is N-(2-ethylsulfanylphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-iodobenzamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-iodobenzamide is CCSc1ccccc1NC(=O)c1ccccc1I.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-iodobenzamide?
The InChIKey is IPCGAHUYPTWSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INOS/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-iodobenzamide?
N-(2-ethylsulfanylphenyl)-2-iodobenzamide has a molecular weight of 383.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-iodobenzamide is sourced from PubChem (CID 47310864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).