5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide

C22H22N2O4S — CID 9350129

IUPAC5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide
SMILESCC(C)c1ccc(/C=N\NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16(2)18-10-8-17(9-11-18)14-23-24-22(25)21-13-12-19(28-21)15-29(26,27)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,24,25)/b23-14-
InChIKeyKHSMSOVUOJKNSE-UCQKPKSFSA-N
MW410.50 g/mol
LogP4.14
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 9350129) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide
PubChem CID9350129
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide
SMILESCC(C)c1ccc(/C=N\NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16(2)18-10-8-17(9-11-18)14-23-24-22(25)21-13-12-19(28-21)15-29(26,27)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,24,25)/b23-14-
InChIKeyKHSMSOVUOJKNSE-UCQKPKSFSA-N
XLogP4.14
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.14
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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Related Compounds

5-(benzenesulfonylmethyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]furan-2-carboxamide
CID 9350236
5-(benzenesulfonylmethyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135788139
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 46513558
5-(benzenesulfonylmethyl)-N-[(2R)-6-methylheptan-2-yl]furan-2-carboxamide
CID 26362090
4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 6174804
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 92662313
5-(benzenesulfonylmethyl)-N-[[(2S)-2-methylcyclohexylidene]amino]furan-2-carboxamide
CID 9350231
5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 32906703

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide (CID 9350129) is 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide is CC(C)c1ccc(/C=N\NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is KHSMSOVUOJKNSE-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16(2)18-10-8-17(9-11-18)14-23-24-22(25)21-13-12-19(28-21)15-29(26,27)20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,24,25)/b23-14-.
What are the key properties of 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 9350129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).