N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide

C15H24N2O4S — CID 2809633

IUPACN-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)oc1C
InChIInChI=1S/C15H24N2O4S/c1-3-4-8-16-15(18)13-11-14(21-12(13)2)22(19,20)17-9-6-5-7-10-17/h11H,3-10H2,1-2H3,(H,16,18)
InChIKeyREIVQBWRHVRZSN-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.29
Rot. Bonds6

About N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide

N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide (PubChem CID 2809633) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide
PubChem CID2809633
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide
SMILESCCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)oc1C
InChIInChI=1S/C15H24N2O4S/c1-3-4-8-16-15(18)13-11-14(21-12(13)2)22(19,20)17-9-6-5-7-10-17/h11H,3-10H2,1-2H3,(H,16,18)
InChIKeyREIVQBWRHVRZSN-UHFFFAOYSA-N
XLogP2.29
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide?
The IUPAC name of N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide (CID 2809633) is N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide?
The canonical SMILES for N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide is CCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)oc1C.
What is the InChIKey of N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide?
The InChIKey is REIVQBWRHVRZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-3-4-8-16-15(18)13-11-14(21-12(13)2)22(19,20)17-9-6-5-7-10-17/h11H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide?
N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide has a molecular weight of 328.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-5-piperidin-1-ylsulfonylfuran-3-carboxamide is sourced from PubChem (CID 2809633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).