2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide

C21H21N3O4S — CID 6256260

IUPAC2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21N3O4S/c1-17-7-5-8-18(13-17)14-22-23-21(25)16-24(15-19-9-6-12-28-19)29(26,27)20-10-3-2-4-11-20/h2-14H,15-16H2,1H3,(H,23,25)/b22-14-
InChIKeyYZGDDLAUCRSOFW-HMAPJEAMSA-N
MW411.48 g/mol
LogP2.93
Rot. Bonds8

About 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide (PubChem CID 6256260) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
PubChem CID6256260
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21N3O4S/c1-17-7-5-8-18(13-17)14-22-23-21(25)16-24(15-19-9-6-12-28-19)29(26,27)20-10-3-2-4-11-20/h2-14H,15-16H2,1H3,(H,23,25)/b22-14-
InChIKeyYZGDDLAUCRSOFW-HMAPJEAMSA-N
XLogP2.93
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.93
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

2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 94846766
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 94847262
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137157567
N-[(Z)-benzylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126073699
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 94847274
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 137065174
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 4530231
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 4004797
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126115890
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6185062
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6022806

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide (CID 6256260) is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide is Cc1cccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is YZGDDLAUCRSOFW-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-17-7-5-8-18(13-17)14-22-23-21(25)16-24(15-19-9-6-12-28-19)29(26,27)20-10-3-2-4-11-20/h2-14H,15-16H2,1H3,(H,23,25)/b22-14-.
What are the key properties of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 411.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6256260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).