N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide

C17H19N3O7S — CID 4301144

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H19N3O7S/c1-26-14-6-5-12(28(24,25)19-9-3-2-4-10-19)11-13(14)18-17(21)15-7-8-16(27-15)20(22)23/h5-8,11H,2-4,9-10H2,1H3,(H,18,21)
InChIKeyLYUBETMMBKVDRM-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.62
Rot. Bonds6

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 4301144) has the molecular formula C17H19N3O7S and a molecular weight of 409.42 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID4301144
Molecular FormulaC17H19N3O7S
Molecular Weight409.42 g/mol
Exact Mass409.09
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H19N3O7S/c1-26-14-6-5-12(28(24,25)19-9-3-2-4-10-19)11-13(14)18-17(21)15-7-8-16(27-15)20(22)23/h5-8,11H,2-4,9-10H2,1H3,(H,18,21)
InChIKeyLYUBETMMBKVDRM-UHFFFAOYSA-N
XLogP2.62
TPSA131.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide (CID 4301144) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is LYUBETMMBKVDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S/c1-26-14-6-5-12(28(24,25)19-9-3-2-4-10-19)11-13(14)18-17(21)15-7-8-16(27-15)20(22)23/h5-8,11H,2-4,9-10H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 409.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 4301144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).