2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide

C14H12INO2S — CID 47262894

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)Nc1cccc(I)c1
InChIInChI=1S/C14H12INO2S/c15-10-2-1-3-11(8-10)16-14(18)9-19-13-6-4-12(17)5-7-13/h1-8,17H,9H2,(H,16,18)
InChIKeyKYOIZTQNICYRLY-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide (PubChem CID 47262894) has the molecular formula C14H12INO2S and a molecular weight of 385.23 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
PubChem CID47262894
Molecular FormulaC14H12INO2S
Molecular Weight385.23 g/mol
Exact Mass384.96
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)Nc1cccc(I)c1
InChIInChI=1S/C14H12INO2S/c15-10-2-1-3-11(8-10)16-14(18)9-19-13-6-4-12(17)5-7-13/h1-8,17H,9H2,(H,16,18)
InChIKeyKYOIZTQNICYRLY-UHFFFAOYSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.73
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-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
CID 18274914
N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2535856
2-(4-hydroxyphenyl)sulfanyl-N-(2,4,6-triiodophenyl)acetamide
CID 63427942
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 9045999
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2952564
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66218573
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide (CID 47262894) is 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide is O=C(CSc1ccc(O)cc1)Nc1cccc(I)c1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide?
The InChIKey is KYOIZTQNICYRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO2S/c15-10-2-1-3-11(8-10)16-14(18)9-19-13-6-4-12(17)5-7-13/h1-8,17H,9H2,(H,16,18).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide has a molecular weight of 385.23 g/mol, XLogP of 3.73, 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-(3-iodophenyl)acetamide is sourced from PubChem (CID 47262894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).