2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide

C17H17FN2O3S — CID 9495462

IUPAC2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)c(O)c1
InChIInChI=1S/C17H17FN2O3S/c1-11-6-7-14(15(21)8-11)20-17(23)10-24-9-16(22)19-13-5-3-2-4-12(13)18/h2-8,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyQIFWMWCXFRPNDT-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.15
Rot. Bonds6

About 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide

2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 9495462) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID9495462
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)c(O)c1
InChIInChI=1S/C17H17FN2O3S/c1-11-6-7-14(15(21)8-11)20-17(23)10-24-9-16(22)19-13-5-3-2-4-12(13)18/h2-8,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyQIFWMWCXFRPNDT-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide (CID 9495462) is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)c(O)c1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is QIFWMWCXFRPNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-11-6-7-14(15(21)8-11)20-17(23)10-24-9-16(22)19-13-5-3-2-4-12(13)18/h2-8,21H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide?
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 9495462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).