2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone

C23H26N4O3S2 — CID 67157127

IUPAC2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone
SMILESO=C(CS(=O)(=O)c1cc2c(N3CCNCC3)nccc2s1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H26N4O3S2/c28-20(17-3-5-18(6-4-17)26-11-1-2-12-26)16-32(29,30)22-15-19-21(31-22)7-8-25-23(19)27-13-9-24-10-14-27/h3-8,15,24H,1-2,9-14,16H2
InChIKeyFNXSWYXCVSZJDW-UHFFFAOYSA-N
MW470.62 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone

2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone (PubChem CID 67157127) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone
PubChem CID67157127
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC Name2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone
SMILESO=C(CS(=O)(=O)c1cc2c(N3CCNCC3)nccc2s1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H26N4O3S2/c28-20(17-3-5-18(6-4-17)26-11-1-2-12-26)16-32(29,30)22-15-19-21(31-22)7-8-25-23(19)27-13-9-24-10-14-27/h3-8,15,24H,1-2,9-14,16H2
InChIKeyFNXSWYXCVSZJDW-UHFFFAOYSA-N
XLogP2.96
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The IUPAC name of 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone (CID 67157127) is 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone.
What is the SMILES notation for 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The canonical SMILES for 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone is O=C(CS(=O)(=O)c1cc2c(N3CCNCC3)nccc2s1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone?
The InChIKey is FNXSWYXCVSZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c28-20(17-3-5-18(6-4-17)26-11-1-2-12-26)16-32(29,30)22-15-19-21(31-22)7-8-25-23(19)27-13-9-24-10-14-27/h3-8,15,24H,1-2,9-14,16H2.
What are the key properties of 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone?
2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone has a molecular weight of 470.62 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylthieno[3,2-c]pyridin-2-yl)sulfonyl-1-(4-pyrrolidin-1-ylphenyl)ethanone is sourced from PubChem (CID 67157127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).