N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide

C20H25N3O3S — CID 2253626

IUPACN-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
SMILESCC(C)=CNNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1
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/h5-13,21H,14H2,1-4H3,(H,22,24)
InChIKeyIFIYOHJGUWDKAU-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.04
Rot. Bonds7

About N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide

N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide (PubChem CID 2253626) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
PubChem CID2253626
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
SMILESCC(C)=CNNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1
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/h5-13,21H,14H2,1-4H3,(H,22,24)
InChIKeyIFIYOHJGUWDKAU-UHFFFAOYSA-N
XLogP3.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-methylpropylideneamino)acetamide
CID 2856819
N-(2,4-dimethylphenyl)-N-[2-[2-[1-(3-iodophenyl)ethenyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 3656906
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170439
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide
CID 92646351
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-ethylacetamide
CID 30170440

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide (CID 2253626) is N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide is CC(C)=CNNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is IFIYOHJGUWDKAU-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/h5-13,21H,14H2,1-4H3,(H,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[2-[2-(2-methylprop-1-enyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 2253626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).