N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide

C22H22ClN5O4S2 — CID 68911214

IUPACN-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1cnc(-c2cc(C#N)c(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)nc2C)o1
InChIInChI=1S/C22H22ClN5O4S2/c1-3-16-12-25-22(32-16)17-10-15(11-24)20(26-13(17)2)28-8-6-14(7-9-28)21(29)27-34(30,31)19-5-4-18(23)33-19/h4-5,10,12,14H,3,6-9H2,1-2H3,(H,27,29)
InChIKeyALMLISXWGBQUKI-UHFFFAOYSA-N
MW520.04 g/mol
LogP3.92
Rot. Bonds6

About N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide

N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 68911214) has the molecular formula C22H22ClN5O4S2 and a molecular weight of 520.04 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide
PubChem CID68911214
Molecular FormulaC22H22ClN5O4S2
Molecular Weight520.04 g/mol
Exact Mass519.08
IUPAC NameN-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1cnc(-c2cc(C#N)c(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)nc2C)o1
InChIInChI=1S/C22H22ClN5O4S2/c1-3-16-12-25-22(32-16)17-10-15(11-24)20(26-13(17)2)28-8-6-14(7-9-28)21(29)27-34(30,31)19-5-4-18(23)33-19/h4-5,10,12,14H,3,6-9H2,1-2H3,(H,27,29)
InChIKeyALMLISXWGBQUKI-UHFFFAOYSA-N
XLogP3.92
TPSA129.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.04
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide (CID 68911214) is N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide is CCc1cnc(-c2cc(C#N)c(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)nc2C)o1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is ALMLISXWGBQUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O4S2/c1-3-16-12-25-22(32-16)17-10-15(11-24)20(26-13(17)2)28-8-6-14(7-9-28)21(29)27-34(30,31)19-5-4-18(23)33-19/h4-5,10,12,14H,3,6-9H2,1-2H3,(H,27,29).
What are the key properties of N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide?
N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 520.04 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)sulfonyl-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 68911214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).