1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide

C23H24Cl2N4O4S2 — CID 174535835

About 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide

1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide (PubChem CID 174535835) has the molecular formula C23H24Cl2N4O4S2 and a molecular weight of 555.51 g/mol. Its IUPAC name is 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
• PubChem CID: 174535835
• Molecular Formula: C23H24Cl2N4O4S2
• Molecular Weight: 555.51 g/mol
• Exact Mass: 554.06
• IUPAC Name: 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
• SMILES: C=CC(c1ccc(Cl)s1)S(=O)(=O)NC(=O)C1CCN(c2ncc(-c3ncc(CC)o3)cc2Cl)CC1
• InChI: InChI=1S/C23H24Cl2N4O4S2/c1-3-16-13-27-23(33-16)15-11-17(24)21(26-12-15)29-9-7-14(8-10-29)22(30)28-35(31,32)19(4-2)18-5-6-20(25)34-18/h4-6,11-14,19H,2-3,7-10H2,1H3,(H,28,30)
• InChIKey: JAYKAMZPZLMUAX-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.51
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide?

The IUPAC name of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide (CID 174535835) is 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide is C=CC(c1ccc(Cl)s1)S(=O)(=O)NC(=O)C1CCN(c2ncc(-c3ncc(CC)o3)cc2Cl)CC1.

What is the InChIKey of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide?

The InChIKey is JAYKAMZPZLMUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O4S2/c1-3-16-13-27-23(33-16)15-11-17(24)21(26-12-15)29-9-7-14(8-10-29)22(30)28-35(31,32)19(4-2)18-5-6-20(25)34-18/h4-6,11-14,19H,2-3,7-10H2,1H3,(H,28,30).

What are the key properties of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide?

1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide has a molecular weight of 555.51 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-[1-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 174535835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).