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

C20H20ClN5O6S2 — CID 68911292

IUPACN-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C20H20ClN5O6S2/c1-2-14-11-23-20(32-14)13-9-15(26(28)29)18(22-10-13)25-7-5-12(6-8-25)19(27)24-34(30,31)17-4-3-16(21)33-17/h3-4,9-12H,2,5-8H2,1H3,(H,24,27)
InChIKeyQXWFPNSWNSIFHP-UHFFFAOYSA-N
MW526.00 g/mol
LogP3.64
Rot. Bonds7

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

N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 68911292) has the molecular formula C20H20ClN5O6S2 and a molecular weight of 526.00 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide
PubChem CID68911292
Molecular FormulaC20H20ClN5O6S2
Molecular Weight526.00 g/mol
Exact Mass525.05
IUPAC NameN-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C20H20ClN5O6S2/c1-2-14-11-23-20(32-14)13-9-15(26(28)29)18(22-10-13)25-7-5-12(6-8-25)19(27)24-34(30,31)17-4-3-16(21)33-17/h3-4,9-12H,2,5-8H2,1H3,(H,24,27)
InChIKeyQXWFPNSWNSIFHP-UHFFFAOYSA-N
XLogP3.64
TPSA148.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.00
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide (CID 68911292) is N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide is CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c([N+](=O)[O-])c2)o1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is QXWFPNSWNSIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O6S2/c1-2-14-11-23-20(32-14)13-9-15(26(28)29)18(22-10-13)25-7-5-12(6-8-25)19(27)24-34(30,31)17-4-3-16(21)33-17/h3-4,9-12H,2,5-8H2,1H3,(H,24,27).
What are the key properties of N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide?
N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 526.00 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)sulfonyl-1-[5-(5-ethyl-1,3-oxazol-2-yl)-3-nitro-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 68911292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).