2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

C23H21F3N2O3S2 — CID 30272225

IUPAC2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCCSCc1ccccc1F
InChIInChI=1S/C23H21F3N2O3S2/c24-18-5-9-20(10-6-18)28(33(30,31)21-11-7-19(25)8-12-21)15-23(29)27-13-14-32-16-17-3-1-2-4-22(17)26/h1-12H,13-16H2,(H,27,29)
InChIKeyBYNKPGLTSHBCAZ-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.35
Rot. Bonds10

About 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 30272225) has the molecular formula C23H21F3N2O3S2 and a molecular weight of 494.56 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID30272225
Molecular FormulaC23H21F3N2O3S2
Molecular Weight494.56 g/mol
Exact Mass494.09
IUPAC Name2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCCSCc1ccccc1F
InChIInChI=1S/C23H21F3N2O3S2/c24-18-5-9-20(10-6-18)28(33(30,31)21-11-7-19(25)8-12-21)15-23(29)27-13-14-32-16-17-3-1-2-4-22(17)26/h1-12H,13-16H2,(H,27,29)
InChIKeyBYNKPGLTSHBCAZ-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30272234
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126416394
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 30228683
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880909
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 43899710
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033059
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 51344983
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3624288
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-tert-butylsulfanylethyl)acetamide
CID 2288502
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(2-benzylsulfanylethyl)acetamide
CID 3729439
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344439
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126031178

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (CID 30272225) is 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCCSCc1ccccc1F.
What is the InChIKey of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is BYNKPGLTSHBCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S2/c24-18-5-9-20(10-6-18)28(33(30,31)21-11-7-19(25)8-12-21)15-23(29)27-13-14-32-16-17-3-1-2-4-22(17)26/h1-12H,13-16H2,(H,27,29).
What are the key properties of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 494.56 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 30272225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).