1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

C20H22ClN5O4S2 — CID 68911186

IUPAC1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(N)c2)o1
InChIInChI=1S/C20H22ClN5O4S2/c1-2-14-11-24-20(30-14)13-9-15(22)18(23-10-13)26-7-5-12(6-8-26)19(27)25-32(28,29)17-4-3-16(21)31-17/h3-4,9-12H,2,5-8,22H2,1H3,(H,25,27)
InChIKeyCVEAGYHCXXSRGU-UHFFFAOYSA-N
MW496.01 g/mol
LogP3.32
Rot. Bonds6

About 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 68911186) has the molecular formula C20H22ClN5O4S2 and a molecular weight of 496.01 g/mol. Its IUPAC name is 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID68911186
Molecular FormulaC20H22ClN5O4S2
Molecular Weight496.01 g/mol
Exact Mass495.08
IUPAC Name1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(N)c2)o1
InChIInChI=1S/C20H22ClN5O4S2/c1-2-14-11-24-20(30-14)13-9-15(22)18(23-10-13)26-7-5-12(6-8-26)19(27)25-32(28,29)17-4-3-16(21)31-17/h3-4,9-12H,2,5-8,22H2,1H3,(H,25,27)
InChIKeyCVEAGYHCXXSRGU-UHFFFAOYSA-N
XLogP3.32
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.01
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 68911186) is 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(N)c2)o1.
What is the InChIKey of 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CVEAGYHCXXSRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O4S2/c1-2-14-11-24-20(30-14)13-9-15(22)18(23-10-13)26-7-5-12(6-8-26)19(27)25-32(28,29)17-4-3-16(21)31-17/h3-4,9-12H,2,5-8,22H2,1H3,(H,25,27).
What are the key properties of 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 496.01 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 68911186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).