2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide

C24H25N3O5S — CID 21372897

IUPAC2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O5S/c1-2-3-9-19-14-16-20(17-15-19)25-24(28)18-26(22-12-7-8-13-23(22)27(29)30)33(31,32)21-10-5-4-6-11-21/h4-8,10-17H,2-3,9,18H2,1H3,(H,25,28)
InChIKeyTZVKWNGTDBIFCC-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.77
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide

2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide (PubChem CID 21372897) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide
PubChem CID21372897
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O5S/c1-2-3-9-19-14-16-20(17-15-19)25-24(28)18-26(22-12-7-8-13-23(22)27(29)30)33(31,32)21-10-5-4-6-11-21/h4-8,10-17H,2-3,9,18H2,1H3,(H,25,28)
InChIKeyTZVKWNGTDBIFCC-UHFFFAOYSA-N
XLogP4.77
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880254
N-(4-butylphenyl)-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 4036531
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882163
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-butylphenyl)acetamide
CID 21372628
N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 2209357
N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21372673
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1137059
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
CID 1298612
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21371880
N-(4-butylphenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 126270925
N-(4-butylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30270668
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 94838117

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide (CID 21372897) is 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide?
The InChIKey is TZVKWNGTDBIFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-2-3-9-19-14-16-20(17-15-19)25-24(28)18-26(22-12-7-8-13-23(22)27(29)30)33(31,32)21-10-5-4-6-11-21/h4-8,10-17H,2-3,9,18H2,1H3,(H,25,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide has a molecular weight of 467.55 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 21372897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).