N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide

C19H22N2O4S — CID 71897518

IUPACN-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
SMILESCC(=NNC(=O)c1ccoc1C)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(20-21-19(22)18-11-12-25-14(18)2)15-7-9-17(10-8-15)26(23,24)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,21,22)
InChIKeyPTOXLCFWPUGRIE-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.46
Rot. Bonds5

About N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide

N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 71897518) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID71897518
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
SMILESCC(=NNC(=O)c1ccoc1C)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(20-21-19(22)18-11-12-25-14(18)2)15-7-9-17(10-8-15)26(23,24)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,21,22)
InChIKeyPTOXLCFWPUGRIE-UHFFFAOYSA-N
XLogP3.46
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide (CID 71897518) is N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide is CC(=NNC(=O)c1ccoc1C)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is PTOXLCFWPUGRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(20-21-19(22)18-11-12-25-14(18)2)15-7-9-17(10-8-15)26(23,24)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide?
N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 71897518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).