4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one

C19H19ClN4O3S3 — CID 67109382

About 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one

4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one (PubChem CID 67109382) has the molecular formula C19H19ClN4O3S3 and a molecular weight of 483.04 g/mol. Its IUPAC name is 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one
• PubChem CID: 67109382
• Molecular Formula: C19H19ClN4O3S3
• Molecular Weight: 483.04 g/mol
• Exact Mass: 482.03
• IUPAC Name: 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one
• SMILES: O=C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCN1CCNc1ccncc1
• InChI: InChI=1S/C19H19ClN4O3S3/c20-17-3-1-15(28-17)16-2-4-19(29-16)30(26,27)24-12-11-23(18(25)13-24)10-9-22-14-5-7-21-8-6-14/h1-8H,9-13H2,(H,21,22)
• InChIKey: FGINZKPXFDUCGZ-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.04
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one?

The IUPAC name of 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one (CID 67109382) is 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one.

What is the SMILES notation for 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one?

The canonical SMILES for 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one is O=C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)CCN1CCNc1ccncc1.

What is the InChIKey of 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one?

The InChIKey is FGINZKPXFDUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S3/c20-17-3-1-15(28-17)16-2-4-19(29-16)30(26,27)24-12-11-23(18(25)13-24)10-9-22-14-5-7-21-8-6-14/h1-8H,9-13H2,(H,21,22).

What are the key properties of 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one?

4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one has a molecular weight of 483.04 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one is sourced from PubChem (CID 67109382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).