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

C21H18F2N2O3S2 — CID 30266187

IUPAC2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2cccc(F)c2)cc1
InChIInChI=1S/C21H18F2N2O3S2/c1-29-19-8-10-20(11-9-19)30(27,28)25(18-7-3-5-16(23)13-18)14-21(26)24-17-6-2-4-15(22)12-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyNEMKAGJPQQLUIG-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.52
Rot. Bonds7

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

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 30266187) has the molecular formula C21H18F2N2O3S2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
PubChem CID30266187
Molecular FormulaC21H18F2N2O3S2
Molecular Weight448.52 g/mol
Exact Mass448.07
IUPAC Name2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2cccc(F)c2)cc1
InChIInChI=1S/C21H18F2N2O3S2/c1-29-19-8-10-20(11-9-19)30(27,28)25(18-7-3-5-16(23)13-18)14-21(26)24-17-6-2-4-15(22)12-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyNEMKAGJPQQLUIG-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30259505
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275792
N-(4-butylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30270668
N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258861
N-(2,4-dimethylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258134
N-cyclopropyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30265654
N-(2-ethoxyphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30259950
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 43899996
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 30270285
N-(3-fluorophenyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126032178
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 30263816

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide (CID 30266187) is 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide is CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is NEMKAGJPQQLUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S2/c1-29-19-8-10-20(11-9-19)30(27,28)25(18-7-3-5-16(23)13-18)14-21(26)24-17-6-2-4-15(22)12-17/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide?
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 448.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 30266187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).