2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide

C15H15IN2OS — CID 79147398

IUPAC2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
SMILESCc1cccc(SCC(=O)Nc2ccccc2I)c1N
InChIInChI=1S/C15H15IN2OS/c1-10-5-4-8-13(15(10)17)20-9-14(19)18-12-7-3-2-6-11(12)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyHFOFYHVSNUUZDT-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.91
Rot. Bonds4

About 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide

2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide (PubChem CID 79147398) has the molecular formula C15H15IN2OS and a molecular weight of 398.27 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
PubChem CID79147398
Molecular FormulaC15H15IN2OS
Molecular Weight398.27 g/mol
Exact Mass397.99
IUPAC Name2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
SMILESCc1cccc(SCC(=O)Nc2ccccc2I)c1N
InChIInChI=1S/C15H15IN2OS/c1-10-5-4-8-13(15(10)17)20-9-14(19)18-12-7-3-2-6-11(12)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyHFOFYHVSNUUZDT-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 62000302
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947
2-(2-amino-3-methylphenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 79130949
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
2-(2-amino-3-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79147255
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-(2-amino-3-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79146657
N-[2-methyl-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]benzamide
CID 55899537
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 79129205
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
CID 79146926

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide (CID 79147398) is 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide is Cc1cccc(SCC(=O)Nc2ccccc2I)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide?
The InChIKey is HFOFYHVSNUUZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2OS/c1-10-5-4-8-13(15(10)17)20-9-14(19)18-12-7-3-2-6-11(12)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide?
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide has a molecular weight of 398.27 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 79147398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).