2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

C22H21FN2O3S2 — CID 1293575

IUPAC2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H21FN2O3S2/c1-16-10-12-19(13-11-16)30(27,28)25(21-9-4-3-8-20(21)23)15-22(26)24-17-6-5-7-18(14-17)29-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyHTKQSOGLYDRYSB-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.69
Rot. Bonds7

About 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 1293575) has the molecular formula C22H21FN2O3S2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID1293575
Molecular FormulaC22H21FN2O3S2
Molecular Weight444.55 g/mol
Exact Mass444.10
IUPAC Name2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H21FN2O3S2/c1-16-10-12-19(13-11-16)30(27,28)25(21-9-4-3-8-20(21)23)15-22(26)24-17-6-5-7-18(14-17)29-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyHTKQSOGLYDRYSB-UHFFFAOYSA-N
XLogP4.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (CID 1293575) is 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is HTKQSOGLYDRYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S2/c1-16-10-12-19(13-11-16)30(27,28)25(21-9-4-3-8-20(21)23)15-22(26)24-17-6-5-7-18(14-17)29-2/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 444.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1293575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).