3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide

C21H26BrN3O4S — CID 3239555

IUPAC3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H26BrN3O4S/c1-2-29-20-6-4-3-5-19(20)23-21(26)11-12-24-13-15-25(16-14-24)30(27,28)18-9-7-17(22)8-10-18/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyRMDJZNBVCMNTOL-UHFFFAOYSA-N
MW496.43 g/mol
LogP3.18
Rot. Bonds8

About 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide

3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide (PubChem CID 3239555) has the molecular formula C21H26BrN3O4S and a molecular weight of 496.43 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
PubChem CID3239555
Molecular FormulaC21H26BrN3O4S
Molecular Weight496.43 g/mol
Exact Mass495.08
IUPAC Name3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C21H26BrN3O4S/c1-2-29-20-6-4-3-5-19(20)23-21(26)11-12-24-13-15-25(16-14-24)30(27,28)18-9-7-17(22)8-10-18/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyRMDJZNBVCMNTOL-UHFFFAOYSA-N
XLogP3.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)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

4-Bromo-N-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 6918647
N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354536
5-bromo-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-methoxybenzenesulfonamide
CID 44431587
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-(2-bromophenyl)-4-methoxy-3-[methyl(piperidin-4-yl)amino]benzenesulfonamide
CID 49863100
N-(2-bromophenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
CID 49863188
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
2-{4-[(4-bromophenyl)sulfonyl]piperazin-1-yl}-N-(2-methoxyphenyl)acetamide
CID 3241108
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222
N-(4-Ethoxyphenyl)-3-[4-(4-methoxybenzenesulfonyl)piperazin-1-YL]propanamide
CID 9550798
N-(2-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940260
N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354589

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide (CID 3239555) is 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is RMDJZNBVCMNTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O4S/c1-2-29-20-6-4-3-5-19(20)23-21(26)11-12-24-13-15-25(16-14-24)30(27,28)18-9-7-17(22)8-10-18/h3-10H,2,11-16H2,1H3,(H,23,26).
What are the key properties of 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide?
3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 496.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 3239555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).