2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide

C19H24BrN3O3S2 — CID 46563308

IUPAC2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)c1
InChIInChI=1S/C19H24BrN3O3S2/c1-13-4-5-16(14(2)12-13)21-19(24)15(3)22-8-10-23(11-9-22)28(25,26)18-7-6-17(20)27-18/h4-7,12,15H,8-11H2,1-3H3,(H,21,24)
InChIKeyKHROMKSVGDSCLE-UHFFFAOYSA-N
MW486.46 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide

2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 46563308) has the molecular formula C19H24BrN3O3S2 and a molecular weight of 486.46 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
PubChem CID46563308
Molecular FormulaC19H24BrN3O3S2
Molecular Weight486.46 g/mol
Exact Mass485.04
IUPAC Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)c1
InChIInChI=1S/C19H24BrN3O3S2/c1-13-4-5-16(14(2)12-13)21-19(24)15(3)22-8-10-23(11-9-22)28(25,26)18-7-6-17(20)27-18/h4-7,12,15H,8-11H2,1-3H3,(H,21,24)
InChIKeyKHROMKSVGDSCLE-UHFFFAOYSA-N
XLogP3.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 55355706
N-(2,4-dimethylphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 24506996
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9494294
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(2,4-dimethylphenyl)propanamide
CID 53119048
(2S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2655742
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24680007
N-(4-chloro-2-fluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680009
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 26264234
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide (CID 46563308) is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)c1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is KHROMKSVGDSCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S2/c1-13-4-5-16(14(2)12-13)21-19(24)15(3)22-8-10-23(11-9-22)28(25,26)18-7-6-17(20)27-18/h4-7,12,15H,8-11H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide?
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 486.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 46563308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).