2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C24H26FN3O6S3 — CID 43900957

IUPAC2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H26FN3O6S3/c1-34-21-12-9-19(16-22(21)36(30,31)27-13-3-2-4-14-27)26-23(29)17-28(20-10-7-18(25)8-11-20)37(32,33)24-6-5-15-35-24/h5-12,15-16H,2-4,13-14,17H2,1H3,(H,26,29)
InChIKeyXTNJHPXLDNHZKG-UHFFFAOYSA-N
MW567.69 g/mol
LogP3.90
Rot. Bonds9

About 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 43900957) has the molecular formula C24H26FN3O6S3 and a molecular weight of 567.69 g/mol. Its IUPAC name is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID43900957
Molecular FormulaC24H26FN3O6S3
Molecular Weight567.69 g/mol
Exact Mass567.10
IUPAC Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H26FN3O6S3/c1-34-21-12-9-19(16-22(21)36(30,31)27-13-3-2-4-14-27)26-23(29)17-28(20-10-7-18(25)8-11-20)37(32,33)24-6-5-15-35-24/h5-12,15-16H,2-4,13-14,17H2,1H3,(H,26,29)
InChIKeyXTNJHPXLDNHZKG-UHFFFAOYSA-N
XLogP3.90
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.69
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892815
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43898819
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43893843
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 92685178
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43897674
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892492
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43898378
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3952309
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275804

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 43900957) is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is XTNJHPXLDNHZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O6S3/c1-34-21-12-9-19(16-22(21)36(30,31)27-13-3-2-4-14-27)26-23(29)17-28(20-10-7-18(25)8-11-20)37(32,33)24-6-5-15-35-24/h5-12,15-16H,2-4,13-14,17H2,1H3,(H,26,29).
What are the key properties of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 567.69 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43900957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).