N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C20H27N3O5S — CID 24979834

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(CC)noc1C
InChIInChI=1S/C20H27N3O5S/c1-4-16-19(14(3)28-22-16)20(24)21-17-13-15(9-10-18(17)27-5-2)29(25,26)23-11-7-6-8-12-23/h9-10,13H,4-8,11-12H2,1-3H3,(H,21,24)
InChIKeyQPJZTWBAJAADQY-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.37
Rot. Bonds7

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24979834) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24979834
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(CC)noc1C
InChIInChI=1S/C20H27N3O5S/c1-4-16-19(14(3)28-22-16)20(24)21-17-13-15(9-10-18(17)27-5-2)29(25,26)23-11-7-6-8-12-23/h9-10,13H,4-8,11-12H2,1-3H3,(H,21,24)
InChIKeyQPJZTWBAJAADQY-UHFFFAOYSA-N
XLogP3.37
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 24979834) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(CC)noc1C.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QPJZTWBAJAADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-16-19(14(3)28-22-16)20(24)21-17-13-15(9-10-18(17)27-5-2)29(25,26)23-11-7-6-8-12-23/h9-10,13H,4-8,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24979834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).