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

C20H21Cl2N5O4S2 — CID 68910980

IUPAC1-[4-amino-3-chloro-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(Cl)c2N)o1
InChIInChI=1S/C20H21Cl2N5O4S2/c1-2-12-9-25-20(31-12)13-10-24-18(16(22)17(13)23)27-7-5-11(6-8-27)19(28)26-33(29,30)15-4-3-14(21)32-15/h3-4,9-11H,2,5-8H2,1H3,(H2,23,24)(H,26,28)
InChIKeyRNEYONGXTVFBHV-UHFFFAOYSA-N
MW530.46 g/mol
LogP3.97
Rot. Bonds6

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

1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 68910980) has the molecular formula C20H21Cl2N5O4S2 and a molecular weight of 530.46 g/mol. Its IUPAC name is 1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID68910980
Molecular FormulaC20H21Cl2N5O4S2
Molecular Weight530.46 g/mol
Exact Mass529.04
IUPAC Name1-[4-amino-3-chloro-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(Cl)c2N)o1
InChIInChI=1S/C20H21Cl2N5O4S2/c1-2-12-9-25-20(31-12)13-10-24-18(16(22)17(13)23)27-7-5-11(6-8-27)19(28)26-33(29,30)15-4-3-14(21)32-15/h3-4,9-11H,2,5-8H2,1H3,(H2,23,24)(H,26,28)
InChIKeyRNEYONGXTVFBHV-UHFFFAOYSA-N
XLogP3.97
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 68910980) is 1-[4-amino-3-chloro-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-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-amino-3-chloro-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(Cl)c2N)o1.
What is the InChIKey of 1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RNEYONGXTVFBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O4S2/c1-2-12-9-25-20(31-12)13-10-24-18(16(22)17(13)23)27-7-5-11(6-8-27)19(28)26-33(29,30)15-4-3-14(21)32-15/h3-4,9-11H,2,5-8H2,1H3,(H2,23,24)(H,26,28).
What are the key properties of 1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 530.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 68910980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).