N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

C23H20F4N2O4S — CID 28547296

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H20F4N2O4S/c1-15-8-11-20(33-2)21(12-15)34(31,32)29(17-6-4-3-5-7-17)14-22(30)28-16-9-10-19(24)18(13-16)23(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyCVLWNQNWUIGBNM-UHFFFAOYSA-N
MW496.48 g/mol
LogP5.00
Rot. Bonds7

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (PubChem CID 28547296) has the molecular formula C23H20F4N2O4S and a molecular weight of 496.48 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
PubChem CID28547296
Molecular FormulaC23H20F4N2O4S
Molecular Weight496.48 g/mol
Exact Mass496.11
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H20F4N2O4S/c1-15-8-11-20(33-2)21(12-15)34(31,32)29(17-6-4-3-5-7-17)14-22(30)28-16-9-10-19(24)18(13-16)23(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyCVLWNQNWUIGBNM-UHFFFAOYSA-N
XLogP5.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126394532
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3275568
N-(3-acetylphenyl)-2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2238416
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 126395506
N-(4-bromo-2,6-dimethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798733
4-[[2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301795
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
4-[[2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126394467
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,5-difluorophenyl)acetamide
CID 28547422

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (CID 28547296) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is CVLWNQNWUIGBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O4S/c1-15-8-11-20(33-2)21(12-15)34(31,32)29(17-6-4-3-5-7-17)14-22(30)28-16-9-10-19(24)18(13-16)23(25,26)27/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 496.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 28547296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).