2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide

C14H10I3NO2S — CID 63427942

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)Nc1c(I)cc(I)cc1I
InChIInChI=1S/C14H10I3NO2S/c15-8-5-11(16)14(12(17)6-8)18-13(20)7-21-10-3-1-9(19)2-4-10/h1-6,19H,7H2,(H,18,20)
InChIKeyUCRYZCRNKLQTQE-UHFFFAOYSA-N
MW637.02 g/mol
LogP4.94
Rot. Bonds4

About 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide (PubChem CID 63427942) has the molecular formula C14H10I3NO2S and a molecular weight of 637.02 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide
PubChem CID63427942
Molecular FormulaC14H10I3NO2S
Molecular Weight637.02 g/mol
Exact Mass636.76
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)Nc1c(I)cc(I)cc1I
InChIInChI=1S/C14H10I3NO2S/c15-8-5-11(16)14(12(17)6-8)18-13(20)7-21-10-3-1-9(19)2-4-10/h1-6,19H,7H2,(H,18,20)
InChIKeyUCRYZCRNKLQTQE-UHFFFAOYSA-N
XLogP4.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.02
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 47262894
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 54910799
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47263024
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
bis(N'-acetyl-2-(4-hydroxyphenyl)sulfanylacetohydrazide);ethene
CID 91553556
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 51099210
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
CID 167825999
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide (CID 63427942) is 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide is O=C(CSc1ccc(O)cc1)Nc1c(I)cc(I)cc1I.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide?
The InChIKey is UCRYZCRNKLQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10I3NO2S/c15-8-5-11(16)14(12(17)6-8)18-13(20)7-21-10-3-1-9(19)2-4-10/h1-6,19H,7H2,(H,18,20).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide has a molecular weight of 637.02 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide is sourced from PubChem (CID 63427942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).