N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C17H19N3O3S — CID 3423617

IUPACN-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-14-8-10-16(11-9-14)24(22,23)20(2)13-17(21)19-18-12-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,19,21)
InChIKeyIFDJUKPPZWEXSZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.77
Rot. Bonds6

About N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 3423617) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID3423617
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-14-8-10-16(11-9-14)24(22,23)20(2)13-17(21)19-18-12-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,19,21)
InChIKeyIFDJUKPPZWEXSZ-UHFFFAOYSA-N
XLogP1.77
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 84932337
2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135965808
N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 55351543
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9122668
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 9122680
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 135816226
N-[(Z)-benzylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126073699
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136918340
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 9174614
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 3423617) is N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccccc2)cc1.
What is the InChIKey of N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is IFDJUKPPZWEXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-14-8-10-16(11-9-14)24(22,23)20(2)13-17(21)19-18-12-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,19,21).
What are the key properties of N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 3423617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).