2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide

C22H21N3O3S — CID 2716777

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
SMILESCc1ccccc1N(CC(=O)NN=Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21N3O3S/c1-18-10-8-9-15-21(18)25(29(27,28)20-13-6-3-7-14-20)17-22(26)24-23-16-19-11-4-2-5-12-19/h2-16H,17H2,1H3,(H,24,26)
InChIKeySXAAUCNBPRCOBG-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.34
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide (PubChem CID 2716777) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
PubChem CID2716777
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
SMILESCc1ccccc1N(CC(=O)NN=Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H21N3O3S/c1-18-10-8-9-15-21(18)25(29(27,28)20-13-6-3-7-14-20)17-22(26)24-23-16-19-11-4-2-5-12-19/h2-16H,17H2,1H3,(H,24,26)
InChIKeySXAAUCNBPRCOBG-UHFFFAOYSA-N
XLogP3.34
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.34
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-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
CID 43879754
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
CID 28589218
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6022806
[4-[(Z)-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 28588816
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[[4-(N-methylanilino)phenyl]methylideneamino]acetamide
CID 4663625
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92644288
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92684823
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
CID 3914152
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588796
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetamide
CID 3577865

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide (CID 2716777) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide is Cc1ccccc1N(CC(=O)NN=Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide?
The InChIKey is SXAAUCNBPRCOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-18-10-8-9-15-21(18)25(29(27,28)20-13-6-3-7-14-20)17-22(26)24-23-16-19-11-4-2-5-12-19/h2-16H,17H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide has a molecular weight of 407.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide is sourced from PubChem (CID 2716777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).