2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone

C24H31Cl2N3O4S2 — CID 25114297

IUPAC2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(COCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1Cl)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H31Cl2N3O4S2/c25-21-7-3-8-22(24(21)26)35(31,32)29-10-2-1-5-19(29)17-33-18-23(30)28-14-12-27(13-15-28)11-9-20-6-4-16-34-20/h3-4,6-8,16,19H,1-2,5,9-15,17-18H2
InChIKeyWZSRIQSKPCHTDH-UHFFFAOYSA-N
MW560.57 g/mol
LogP4.00
Rot. Bonds9

About 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone

2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone (PubChem CID 25114297) has the molecular formula C24H31Cl2N3O4S2 and a molecular weight of 560.57 g/mol. Its IUPAC name is 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
PubChem CID25114297
Molecular FormulaC24H31Cl2N3O4S2
Molecular Weight560.57 g/mol
Exact Mass559.11
IUPAC Name2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(COCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1Cl)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H31Cl2N3O4S2/c25-21-7-3-8-22(24(21)26)35(31,32)29-10-2-1-5-19(29)17-33-18-23(30)28-14-12-27(13-15-28)11-9-20-6-4-16-34-20/h3-4,6-8,16,19H,1-2,5,9-15,17-18H2
InChIKeyWZSRIQSKPCHTDH-UHFFFAOYSA-N
XLogP4.00
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.57
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone (CID 25114297) is 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone is O=C(COCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1Cl)N1CCN(CCc2cccs2)CC1.
What is the InChIKey of 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is WZSRIQSKPCHTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N3O4S2/c25-21-7-3-8-22(24(21)26)35(31,32)29-10-2-1-5-19(29)17-33-18-23(30)28-14-12-27(13-15-28)11-9-20-6-4-16-34-20/h3-4,6-8,16,19H,1-2,5,9-15,17-18H2.
What are the key properties of 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone?
2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 560.57 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 25114297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).