2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide

C20H25N3O3S — CID 2856819

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide
SMILESCc1ccc(N(CC(=O)NN=CC(C)C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25N3O3S/c1-15(2)13-21-22-20(24)14-23(19-11-10-16(3)12-17(19)4)27(25,26)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3,(H,22,24)
InChIKeyMJXVKZKSWMTYRH-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.26
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide (PubChem CID 2856819) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide
PubChem CID2856819
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide
SMILESCc1ccc(N(CC(=O)NN=CC(C)C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25N3O3S/c1-15(2)13-21-22-20(24)14-23(19-11-10-16(3)12-17(19)4)27(25,26)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3,(H,22,24)
InChIKeyMJXVKZKSWMTYRH-UHFFFAOYSA-N
XLogP3.26
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.26
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)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
CID 2716777
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 98058977
N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 2253626
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6022806
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43891983
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide (CID 2856819) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide is Cc1ccc(N(CC(=O)NN=CC(C)C)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide?
The InChIKey is MJXVKZKSWMTYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15(2)13-21-22-20(24)14-23(19-11-10-16(3)12-17(19)4)27(25,26)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide has a molecular weight of 387.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide is sourced from PubChem (CID 2856819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).