N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C20H24BrN3O5S — CID 55630676

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C20H24BrN3O5S/c1-14-12-15(21)6-7-16(14)22-18(25)13-23(2)20(26)17-8-9-19(29-17)30(27,28)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,25)
InChIKeyGJQFKZVASAVJDG-UHFFFAOYSA-N
MW498.40 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55630676) has the molecular formula C20H24BrN3O5S and a molecular weight of 498.40 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55630676
Molecular FormulaC20H24BrN3O5S
Molecular Weight498.40 g/mol
Exact Mass497.06
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C20H24BrN3O5S/c1-14-12-15(21)6-7-16(14)22-18(25)13-23(2)20(26)17-8-9-19(29-17)30(27,28)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,25)
InChIKeyGJQFKZVASAVJDG-UHFFFAOYSA-N
XLogP3.24
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55631341
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632664
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methylthiophene-2-carboxamide
CID 26678374
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 26904882
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 27761650
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 46555969
(2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95776819
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55630676) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is GJQFKZVASAVJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O5S/c1-14-12-15(21)6-7-16(14)22-18(25)13-23(2)20(26)17-8-9-19(29-17)30(27,28)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 498.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55630676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).