5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide

C17H19N3O6S — CID 49460379

IUPAC5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1
InChIInChI=1S/C17H19N3O6S/c1-12-2-7-16(26-12)17(21)18-13-8-10-19(11-9-13)27(24,25)15-5-3-14(4-6-15)20(22)23/h2-7,13H,8-11H2,1H3,(H,18,21)
InChIKeyCXZHGDXWLUFTTH-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.08
Rot. Bonds5

About 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide

5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide (PubChem CID 49460379) has the molecular formula C17H19N3O6S and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
PubChem CID49460379
Molecular FormulaC17H19N3O6S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC Name5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1
InChIInChI=1S/C17H19N3O6S/c1-12-2-7-16(26-12)17(21)18-13-8-10-19(11-9-13)27(24,25)15-5-3-14(4-6-15)20(22)23/h2-7,13H,8-11H2,1H3,(H,18,21)
InChIKeyCXZHGDXWLUFTTH-UHFFFAOYSA-N
XLogP2.08
TPSA122.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559903
3,5-dihydroxy-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562893
N-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979817
5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358828
2-(4-methylphenyl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9326648
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 24614398
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
CID 56578618

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide (CID 49460379) is 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide is Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1.
What is the InChIKey of 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide?
The InChIKey is CXZHGDXWLUFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S/c1-12-2-7-16(26-12)17(21)18-13-8-10-19(11-9-13)27(24,25)15-5-3-14(4-6-15)20(22)23/h2-7,13H,8-11H2,1H3,(H,18,21).
What are the key properties of 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide?
5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 49460379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).