1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone

C21H27N3O6S3 — CID 24818090

IUPAC1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1
InChIInChI=1S/C21H27N3O6S3/c1-17-2-5-19(6-3-17)32(26,27)23-10-8-22(9-11-23)20(25)16-18-4-7-21(31-18)33(28,29)24-12-14-30-15-13-24/h2-7H,8-16H2,1H3
InChIKeyIBEUFMJDXLAMFQ-UHFFFAOYSA-N
MW513.66 g/mol
LogP1.15
Rot. Bonds6

About 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 24818090) has the molecular formula C21H27N3O6S3 and a molecular weight of 513.66 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
PubChem CID24818090
Molecular FormulaC21H27N3O6S3
Molecular Weight513.66 g/mol
Exact Mass513.11
IUPAC Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1
InChIInChI=1S/C21H27N3O6S3/c1-17-2-5-19(6-3-17)32(26,27)23-10-8-22(9-11-23)20(25)16-18-4-7-21(31-18)33(28,29)24-12-14-30-15-13-24/h2-7H,8-16H2,1H3
InChIKeyIBEUFMJDXLAMFQ-UHFFFAOYSA-N
XLogP1.15
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone 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

(3-Morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079
(2-Methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2577950
N-(3,3-diphenylpropyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 5037436
1-[4-(4-Propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 24979939
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 25161661
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 25162392
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24979626
N-[(3-fluorophenyl)methyl]-N-methyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24980999
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 24982549
N-(cyclohexylmethyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2117005
[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2470315

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone (CID 24818090) is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is IBEUFMJDXLAMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S3/c1-17-2-5-19(6-3-17)32(26,27)23-10-8-22(9-11-23)20(25)16-18-4-7-21(31-18)33(28,29)24-12-14-30-15-13-24/h2-7H,8-16H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 513.66 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 24818090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).