2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C22H29FN4O6S2 — CID 92685178

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H29FN4O6S2/c1-25(2)35(31,32)27(19-10-6-5-9-18(19)23)16-22(28)24-17-11-12-20(33-3)21(15-17)34(29,30)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,24,28)
InChIKeyBCSMHLCXPFEMDB-UHFFFAOYSA-N
MW528.63 g/mol
LogP2.26
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 92685178) has the molecular formula C22H29FN4O6S2 and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID92685178
Molecular FormulaC22H29FN4O6S2
Molecular Weight528.63 g/mol
Exact Mass528.15
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H29FN4O6S2/c1-25(2)35(31,32)27(19-10-6-5-9-18(19)23)16-22(28)24-17-11-12-20(33-3)21(15-17)34(29,30)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,24,28)
InChIKeyBCSMHLCXPFEMDB-UHFFFAOYSA-N
XLogP2.26
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43897674
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892815
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892492
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 53283595
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43900108
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43900957
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742152
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43898819

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 92685178) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is BCSMHLCXPFEMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O6S2/c1-25(2)35(31,32)27(19-10-6-5-9-18(19)23)16-22(28)24-17-11-12-20(33-3)21(15-17)34(29,30)26-13-7-4-8-14-26/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,24,28).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 528.63 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 92685178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).