2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide

C21H26BrN3O3S — CID 55498452

IUPAC2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(Br)c1
InChIInChI=1S/C21H26BrN3O3S/c1-15-8-9-20(19(22)14-15)23-21(26)16(2)25-12-10-17(11-13-25)24-29(27,28)18-6-4-3-5-7-18/h3-9,14,16-17,24H,10-13H2,1-2H3,(H,23,26)
InChIKeyFEAUMFOQFOTBMK-UHFFFAOYSA-N
MW480.43 g/mol
LogP3.53
Rot. Bonds6

About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide (PubChem CID 55498452) has the molecular formula C21H26BrN3O3S and a molecular weight of 480.43 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
PubChem CID55498452
Molecular FormulaC21H26BrN3O3S
Molecular Weight480.43 g/mol
Exact Mass479.09
IUPAC Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(Br)c1
InChIInChI=1S/C21H26BrN3O3S/c1-15-8-9-20(19(22)14-15)23-21(26)16(2)25-12-10-17(11-13-25)24-29(27,28)18-6-4-3-5-7-18/h3-9,14,16-17,24H,10-13H2,1-2H3,(H,23,26)
InChIKeyFEAUMFOQFOTBMK-UHFFFAOYSA-N
XLogP3.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55482564
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390
(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 40811536
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 55499047
N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500734
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
N-(2-bromo-4-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 55432352
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 24596402
N-(2,4-difluorophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86914703
(2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250247
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 22772651

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide?
The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide (CID 55498452) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(Br)c1.
What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide?
The InChIKey is FEAUMFOQFOTBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O3S/c1-15-8-9-20(19(22)14-15)23-21(26)16(2)25-12-10-17(11-13-25)24-29(27,28)18-6-4-3-5-7-18/h3-9,14,16-17,24H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide?
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide has a molecular weight of 480.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide is sourced from PubChem (CID 55498452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).