2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C26H28FN3O6S2 — CID 3952309

IUPAC2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FN3O6S2/c1-36-23-11-15-25(16-12-23)38(34,35)30(22-9-5-20(27)6-10-22)19-26(31)28-21-7-13-24(14-8-21)37(32,33)29-17-3-2-4-18-29/h5-16H,2-4,17-19H2,1H3,(H,28,31)
InChIKeyAEYCTSOOZLNKCQ-UHFFFAOYSA-N
MW561.66 g/mol
LogP3.84
Rot. Bonds9

About 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3952309) has the molecular formula C26H28FN3O6S2 and a molecular weight of 561.66 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3952309
Molecular FormulaC26H28FN3O6S2
Molecular Weight561.66 g/mol
Exact Mass561.14
IUPAC Name2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FN3O6S2/c1-36-23-11-15-25(16-12-23)38(34,35)30(22-9-5-20(27)6-10-22)19-26(31)28-21-7-13-24(14-8-21)37(32,33)29-17-3-2-4-18-29/h5-16H,2-4,17-19H2,1H3,(H,28,31)
InChIKeyAEYCTSOOZLNKCQ-UHFFFAOYSA-N
XLogP3.84
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.66
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 126262098
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43900108
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519754
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892815
N-[4-(2-adamantyl)phenyl]-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126414848
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880636
N-[4-(cyanomethyl)phenyl]-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2971884
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
CID 2230154
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126335503

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 3952309) is 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is AEYCTSOOZLNKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O6S2/c1-36-23-11-15-25(16-12-23)38(34,35)30(22-9-5-20(27)6-10-22)19-26(31)28-21-7-13-24(14-8-21)37(32,33)29-17-3-2-4-18-29/h5-16H,2-4,17-19H2,1H3,(H,28,31).
What are the key properties of 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 561.66 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3952309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).