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

C24H27Cl2N5O4S2 — CID 174535790

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

1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide (PubChem CID 174535790) has the molecular formula C24H27Cl2N5O4S2 and a molecular weight of 584.55 g/mol. Its IUPAC name is 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(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)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
• PubChem CID: 174535790
• Molecular Formula: C24H27Cl2N5O4S2
• Molecular Weight: 584.55 g/mol
• Exact Mass: 583.09
• IUPAC Name: 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide
• SMILES: CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)CC=Cc4ccc(Cl)s4)CC3)c(Cl)c2NC)o1
• InChI: InChI=1S/C24H27Cl2N5O4S2/c1-3-16-13-29-24(35-16)18-14-28-22(20(26)21(18)27-2)31-10-8-15(9-11-31)23(32)30-37(33,34)12-4-5-17-6-7-19(25)36-17/h4-7,13-15H,3,8-12H2,1-2H3,(H,27,28)(H,30,32)
• InChIKey: AZWKGTFCCFJZFB-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 117.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.55
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(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)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide (CID 174535790) is 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(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)-4-(methylamino)-2-pyridinyl]-N-[3-(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)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide is CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)CC=Cc4ccc(Cl)s4)CC3)c(Cl)c2NC)o1.

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

The InChIKey is AZWKGTFCCFJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O4S2/c1-3-16-13-29-24(35-16)18-14-28-22(20(26)21(18)27-2)31-10-8-15(9-11-31)23(32)30-37(33,34)12-4-5-17-6-7-19(25)36-17/h4-7,13-15H,3,8-12H2,1-2H3,(H,27,28)(H,30,32).

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

1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide has a molecular weight of 584.55 g/mol, XLogP of 5.08, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 174535790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).