2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide

C22H21ClN4O5S2 — CID 10324406

About 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide (PubChem CID 10324406) has the molecular formula C22H21ClN4O5S2 and a molecular weight of 521.02 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide.

Molecular Properties

• Compound Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide
• PubChem CID: 10324406
• Molecular Formula: C22H21ClN4O5S2
• Molecular Weight: 521.02 g/mol
• Exact Mass: 520.06
• IUPAC Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide
• SMILES: NC(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C22H21ClN4O5S2/c23-18-10-11-21(33-18)34(31,32)27(14-19(24)28)17-4-3-13-26(22(17)30)16-8-6-15(7-9-16)25-12-2-1-5-20(25)29/h1-2,5-12,17H,3-4,13-14H2,(H2,24,28)
• InChIKey: IYNBFDQZMQQKCJ-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 122.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.02
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide?

The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide (CID 10324406) is 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide.

What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide?

The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide is NC(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide?

The InChIKey is IYNBFDQZMQQKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O5S2/c23-18-10-11-21(33-18)34(31,32)27(14-19(24)28)17-4-3-13-26(22(17)30)16-8-6-15(7-9-16)25-12-2-1-5-20(25)29/h1-2,5-12,17H,3-4,13-14H2,(H2,24,28).

What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide?

2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide has a molecular weight of 521.02 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-[2-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]piperidin-3-yl]amino]acetamide is sourced from PubChem (CID 10324406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).