2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide

C14H10F2INOS — CID 9045999

IUPAC2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
SMILESO=C(CSc1cc(F)ccc1F)Nc1cccc(I)c1
InChIInChI=1S/C14H10F2INOS/c15-9-4-5-12(16)13(6-9)20-8-14(19)18-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,18,19)
InChIKeySUDMDKKZEHZZKD-UHFFFAOYSA-N
MW405.21 g/mol
LogP4.30
Rot. Bonds4

About 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide

2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide (PubChem CID 9045999) has the molecular formula C14H10F2INOS and a molecular weight of 405.21 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
PubChem CID9045999
Molecular FormulaC14H10F2INOS
Molecular Weight405.21 g/mol
Exact Mass404.95
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
SMILESO=C(CSc1cc(F)ccc1F)Nc1cccc(I)c1
InChIInChI=1S/C14H10F2INOS/c15-9-4-5-12(16)13(6-9)20-8-14(19)18-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,18,19)
InChIKeySUDMDKKZEHZZKD-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.21
LogP ≤ 54.30
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

2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613
2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 47262894
N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2535856
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide
CID 29338121
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66218573
2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 8871255
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2952564
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide (CID 9045999) is 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide is O=C(CSc1cc(F)ccc1F)Nc1cccc(I)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide?
The InChIKey is SUDMDKKZEHZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2INOS/c15-9-4-5-12(16)13(6-9)20-8-14(19)18-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide?
2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide has a molecular weight of 405.21 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 9045999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).