2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide

C29H24F2N2O6S2 — CID 43980674

IUPAC2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cc2ccc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C29H24F2N2O6S2/c30-22-5-13-26(14-6-22)40(36,37)18-28(34)32-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)33-29(35)19-41(38,39)27-15-7-23(31)8-16-27/h1-16H,17-19H2,(H,32,34)(H,33,35)
InChIKeyYQAKGEQMIKAHBM-UHFFFAOYSA-N
MW598.65 g/mol
LogP4.38
Rot. Bonds10

About 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide

2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide (PubChem CID 43980674) has the molecular formula C29H24F2N2O6S2 and a molecular weight of 598.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide
PubChem CID43980674
Molecular FormulaC29H24F2N2O6S2
Molecular Weight598.65 g/mol
Exact Mass598.10
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cc2ccc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C29H24F2N2O6S2/c30-22-5-13-26(14-6-22)40(36,37)18-28(34)32-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)33-29(35)19-41(38,39)27-15-7-23(31)8-16-27/h1-16H,17-19H2,(H,32,34)(H,33,35)
InChIKeyYQAKGEQMIKAHBM-UHFFFAOYSA-N
XLogP4.38
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.65
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
N-(3-acetylphenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544853
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409059
2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3410124
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 5036336

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide (CID 43980674) is 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide is O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cc2ccc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide?
The InChIKey is YQAKGEQMIKAHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N2O6S2/c30-22-5-13-26(14-6-22)40(36,37)18-28(34)32-24-9-1-20(2-10-24)17-21-3-11-25(12-4-21)33-29(35)19-41(38,39)27-15-7-23(31)8-16-27/h1-16H,17-19H2,(H,32,34)(H,33,35).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide?
2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide has a molecular weight of 598.65 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[4-[[4-[[2-(4-fluorophenyl)sulfonylacetyl]amino]phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 43980674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).