5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide

C18H16N2O4S2 — CID 9350236

IUPAC5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1
InChIInChI=1S/C18H16N2O4S2/c1-13-7-9-15(25-13)11-19-20-18(21)17-10-8-14(24-17)12-26(22,23)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,20,21)/b19-11-
InChIKeyKGTFOOHYLZEEHL-ODLFYWEKSA-N
MW388.47 g/mol
LogP3.39
Rot. Bonds6

About 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide (PubChem CID 9350236) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
PubChem CID9350236
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1
InChIInChI=1S/C18H16N2O4S2/c1-13-7-9-15(25-13)11-19-20-18(21)17-10-8-14(24-17)12-26(22,23)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,20,21)/b19-11-
InChIKeyKGTFOOHYLZEEHL-ODLFYWEKSA-N
XLogP3.39
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide
CID 9350129
5-(benzenesulfonylmethyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135788139
5-bromo-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 5411667
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
CID 9350231
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5418164
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide (CID 9350236) is 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide is Cc1ccc(/C=N\NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is KGTFOOHYLZEEHL-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-13-7-9-15(25-13)11-19-20-18(21)17-10-8-14(24-17)12-26(22,23)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,20,21)/b19-11-.
What are the key properties of 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 9350236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).