2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

C24H24F2N2O5S2 — CID 43901748

IUPAC2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H24F2N2O5S2/c1-3-23(17-4-12-21(13-5-17)34(2,30)31)27-24(29)16-28(20-10-6-18(25)7-11-20)35(32,33)22-14-8-19(26)9-15-22/h4-15,23H,3,16H2,1-2H3,(H,27,29)
InChIKeyOYDAKLMQTDOILH-UHFFFAOYSA-N
MW522.60 g/mol
LogP3.83
Rot. Bonds9

About 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide

2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (PubChem CID 43901748) has the molecular formula C24H24F2N2O5S2 and a molecular weight of 522.60 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
PubChem CID43901748
Molecular FormulaC24H24F2N2O5S2
Molecular Weight522.60 g/mol
Exact Mass522.11
IUPAC Name2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H24F2N2O5S2/c1-3-23(17-4-12-21(13-5-17)34(2,30)31)27-24(29)16-28(20-10-6-18(25)7-11-20)35(32,33)22-14-8-19(26)9-15-22/h4-15,23H,3,16H2,1-2H3,(H,27,29)
InChIKeyOYDAKLMQTDOILH-UHFFFAOYSA-N
XLogP3.83
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide
CID 46770565
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28574516
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30227660
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896673
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43892569
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92672306
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 94863870
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43898778
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43895541
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92673156
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28567843
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(1-phenylpropyl)acetamide
CID 43901870

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide (CID 43901748) is 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
The InChIKey is OYDAKLMQTDOILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O5S2/c1-3-23(17-4-12-21(13-5-17)34(2,30)31)27-24(29)16-28(20-10-6-18(25)7-11-20)35(32,33)22-14-8-19(26)9-15-22/h4-15,23H,3,16H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide?
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide has a molecular weight of 522.60 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide is sourced from PubChem (CID 43901748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).