N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide

C18H19IN2O3S — CID 55342144

IUPACN-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H19IN2O3S/c1-24-11-10-20-17(22)12-25-16-5-3-2-4-15(16)18(23)21-14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyJQEPOAGRCMLVNI-UHFFFAOYSA-N
MW470.33 g/mol
LogP3.40
Rot. Bonds8

About N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide

N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 55342144) has the molecular formula C18H19IN2O3S and a molecular weight of 470.33 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID55342144
Molecular FormulaC18H19IN2O3S
Molecular Weight470.33 g/mol
Exact Mass470.02
IUPAC NameN-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCOCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C18H19IN2O3S/c1-24-11-10-20-17(22)12-25-16-5-3-2-4-15(16)18(23)21-14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyJQEPOAGRCMLVNI-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[4-(tert-butylcarbamoyl)phenyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 38254442
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17474009
N-(2,4-dichlorophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55335321
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(1-phenylethyl)benzamide
CID 55334460
2-propan-2-yloxyethyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55356954
N-(2-amino-2-methylpropyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119627706
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38667988
N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 34666615
N-(2-methoxyethyl)-2-[2-(4-methylpiperidine-1-carbonyl)phenyl]sulfanylacetamide
CID 34742424
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461768
[2-(3-acetylanilino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55308717

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide (CID 55342144) is N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide is COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is JQEPOAGRCMLVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O3S/c1-24-11-10-20-17(22)12-25-16-5-3-2-4-15(16)18(23)21-14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide?
N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 470.33 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 55342144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).