2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide

C24H24N4O7S — CID 126148217

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC
InChIInChI=1S/C24H24N4O7S/c1-17(18-9-11-20(12-10-18)28(30)31)25-26-24(29)16-27(19-7-5-4-6-8-19)36(32,33)21-13-14-22(34-2)23(15-21)35-3/h4-15H,16H2,1-3H3,(H,26,29)/b25-17-
InChIKeyKHIKWOJGTIQGNK-UQQQWYQISA-N
MW512.54 g/mol
LogP3.35
Rot. Bonds10

About 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide (PubChem CID 126148217) has the molecular formula C24H24N4O7S and a molecular weight of 512.54 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
PubChem CID126148217
Molecular FormulaC24H24N4O7S
Molecular Weight512.54 g/mol
Exact Mass512.14
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC
InChIInChI=1S/C24H24N4O7S/c1-17(18-9-11-20(12-10-18)28(30)31)25-26-24(29)16-27(19-7-5-4-6-8-19)36(32,33)21-13-14-22(34-2)23(15-21)35-3/h4-15H,16H2,1-3H3,(H,26,29)/b25-17-
InChIKeyKHIKWOJGTIQGNK-UQQQWYQISA-N
XLogP3.35
TPSA140.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033834
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126122657
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 126136912
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3879927
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 126318667
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6107533
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033899
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 27046938
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 124544498

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide (CID 126148217) is 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is KHIKWOJGTIQGNK-UQQQWYQISA-N. The full InChI is InChI=1S/C24H24N4O7S/c1-17(18-9-11-20(12-10-18)28(30)31)25-26-24(29)16-27(19-7-5-4-6-8-19)36(32,33)21-13-14-22(34-2)23(15-21)35-3/h4-15H,16H2,1-3H3,(H,26,29)/b25-17-.
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 512.54 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 126148217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).