2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide

C17H18N4O4S — CID 44592036

IUPAC2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H18N4O4S/c1-13(22)20-15-7-9-16(10-8-15)26(24,25)19-12-17(23)21-18-11-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3,(H,20,22)(H,21,23)/b18-11+
InChIKeyFOKVGZKVMCUXLH-WOJGMQOQSA-N
MW374.42 g/mol
LogP1.07
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide

2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide (PubChem CID 44592036) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide
PubChem CID44592036
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C17H18N4O4S/c1-13(22)20-15-7-9-16(10-8-15)26(24,25)19-12-17(23)21-18-11-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3,(H,20,22)(H,21,23)/b18-11+
InChIKeyFOKVGZKVMCUXLH-WOJGMQOQSA-N
XLogP1.07
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.07
H-Bond Donors ≤ 53
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

4-[[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfamoyl]benzoic acid
CID 89116773
2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 6279022
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440
2-(benzenesulfonamido)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 9038855
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826786
N-[(4-acetamidophenyl)methylideneamino]-2-hydroxyacetamide
CID 20982377
N-[(E)-benzylideneamino]-4-(2-oxopropylamino)benzenesulfonamide
CID 6900166
[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 6021477
2-(benzenesulfonamido)-N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]acetamide
CID 9237986
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136742007

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide (CID 44592036) is 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide?
The InChIKey is FOKVGZKVMCUXLH-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-13(22)20-15-7-9-16(10-8-15)26(24,25)19-12-17(23)21-18-11-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3,(H,20,22)(H,21,23)/b18-11+.
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide?
2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide has a molecular weight of 374.42 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide is sourced from PubChem (CID 44592036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).