N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide

C20H25BrN4O3S — CID 60500734

IUPACN-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(Br)c1
InChIInChI=1S/C20H25BrN4O3S/c1-14-3-8-19(18(21)13-14)23-20(26)15(2)24-9-11-25(12-10-24)16-4-6-17(7-5-16)29(22,27)28/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)(H2,22,27,28)
InChIKeyJUFZAJHYMQADLK-UHFFFAOYSA-N
MW481.42 g/mol
LogP2.55
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide

N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide (PubChem CID 60500734) has the molecular formula C20H25BrN4O3S and a molecular weight of 481.42 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
PubChem CID60500734
Molecular FormulaC20H25BrN4O3S
Molecular Weight481.42 g/mol
Exact Mass480.08
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(Br)c1
InChIInChI=1S/C20H25BrN4O3S/c1-14-3-8-19(18(21)13-14)23-20(26)15(2)24-9-11-25(12-10-24)16-4-6-17(7-5-16)29(22,27)28/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)(H2,22,27,28)
InChIKeyJUFZAJHYMQADLK-UHFFFAOYSA-N
XLogP2.55
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500673
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46631156
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 55498452
(2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250247
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088
N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390
(2S)-2-(4-phenylpiperazin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9250166
N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432438
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32861552

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide (CID 60500734) is N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
The InChIKey is JUFZAJHYMQADLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O3S/c1-14-3-8-19(18(21)13-14)23-20(26)15(2)24-9-11-25(12-10-24)16-4-6-17(7-5-16)29(22,27)28/h3-8,13,15H,9-12H2,1-2H3,(H,23,26)(H2,22,27,28).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide?
N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide has a molecular weight of 481.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 60500734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).