N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide

C13H19NO4S — CID 146091047

IUPACN-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H19NO4S/c1-2-12-11(8-9-18-12)13(15)14-19(16,17)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyFPMPQNYAUZLQOC-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.23
Rot. Bonds4

About N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide

N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide (PubChem CID 146091047) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide
PubChem CID146091047
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H19NO4S/c1-2-12-11(8-9-18-12)13(15)14-19(16,17)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyFPMPQNYAUZLQOC-UHFFFAOYSA-N
XLogP2.23
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide?
The IUPAC name of N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide (CID 146091047) is N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide?
The InChIKey is FPMPQNYAUZLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-12-11(8-9-18-12)13(15)14-19(16,17)10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide?
N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide has a molecular weight of 285.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfonyl-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 146091047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).