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

C17H17FN2O2S2 — CID 17482942

IUPAC2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O2S2/c1-23-13-8-6-12(7-9-13)19-16(21)10-24-11-17(22)20-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySWYBSKPRVOPSGA-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.86
Rot. Bonds7

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

2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 17482942) has the molecular formula C17H17FN2O2S2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
PubChem CID17482942
Molecular FormulaC17H17FN2O2S2
Molecular Weight364.47 g/mol
Exact Mass364.07
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O2S2/c1-23-13-8-6-12(7-9-13)19-16(21)10-24-11-17(22)20-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySWYBSKPRVOPSGA-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 9260610
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9423860
benzyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812607

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide (CID 17482942) is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is SWYBSKPRVOPSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S2/c1-23-13-8-6-12(7-9-13)19-16(21)10-24-11-17(22)20-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide?
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 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-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 17482942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).