2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide

C22H23N3O5S — CID 94847262

IUPAC2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O5S/c1-2-29-19-12-10-18(11-13-19)15-23-24-22(26)17-25(16-20-7-6-14-30-20)31(27,28)21-8-4-3-5-9-21/h3-15H,2,16-17H2,1H3,(H,24,26)/b23-15-
InChIKeyLASVYYIEBBNNES-HAHDFKILSA-N
MW441.51 g/mol
LogP3.02
Rot. Bonds10

About 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 94847262) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
PubChem CID94847262
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H23N3O5S/c1-2-29-19-12-10-18(11-13-19)15-23-24-22(26)17-25(16-20-7-6-14-30-20)31(27,28)21-8-4-3-5-9-21/h3-15H,2,16-17H2,1H3,(H,24,26)/b23-15-
InChIKeyLASVYYIEBBNNES-HAHDFKILSA-N
XLogP3.02
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.02
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'}

Analyze 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 137065174
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6256260
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 98083596
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 94847274
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137157567
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 29282263
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 171145774
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 45374174
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112787957
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6060424
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide (CID 94847262) is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is LASVYYIEBBNNES-HAHDFKILSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-2-29-19-12-10-18(11-13-19)15-23-24-22(26)17-25(16-20-7-6-14-30-20)31(27,28)21-8-4-3-5-9-21/h3-15H,2,16-17H2,1H3,(H,24,26)/b23-15-.
What are the key properties of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 441.51 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 94847262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).