N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide

C20H23BrFN3O3S — CID 26438243

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23BrFN3O3S/c1-14-5-7-16(12-19(14)29(27,28)25-9-3-2-4-10-25)23-13-20(26)24-18-8-6-15(21)11-17(18)22/h5-8,11-12,23H,2-4,9-10,13H2,1H3,(H,24,26)
InChIKeyAEDYSZUOJZKGEN-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.12
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide

N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 26438243) has the molecular formula C20H23BrFN3O3S and a molecular weight of 484.39 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID26438243
Molecular FormulaC20H23BrFN3O3S
Molecular Weight484.39 g/mol
Exact Mass483.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23BrFN3O3S/c1-14-5-7-16(12-19(14)29(27,28)25-9-3-2-4-10-25)23-13-20(26)24-18-8-6-15(21)11-17(18)22/h5-8,11-12,23H,2-4,9-10,13H2,1H3,(H,24,26)
InChIKeyAEDYSZUOJZKGEN-UHFFFAOYSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 55345481
N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 9100423
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N,N-dimethylacetamide
CID 32898605
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide (CID 26438243) is N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide is Cc1ccc(NCC(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is AEDYSZUOJZKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3O3S/c1-14-5-7-16(12-19(14)29(27,28)25-9-3-2-4-10-25)23-13-20(26)24-18-8-6-15(21)11-17(18)22/h5-8,11-12,23H,2-4,9-10,13H2,1H3,(H,24,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 484.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 26438243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).