N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide

C24H23FN4O6S — CID 6146556

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C(/C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H23FN4O6S/c1-16-4-13-22(14-23(16)29(31)32)36(33,34)28(20-9-11-21(35-3)12-10-20)15-24(30)27-26-17(2)18-5-7-19(25)8-6-18/h4-14H,15H2,1-3H3,(H,27,30)/b26-17-
InChIKeyFFQCLMFLAQFPIB-ONUIUJJFSA-N
MW514.54 g/mol
LogP3.79
Rot. Bonds9

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 6146556) has the molecular formula C24H23FN4O6S and a molecular weight of 514.54 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
PubChem CID6146556
Molecular FormulaC24H23FN4O6S
Molecular Weight514.54 g/mol
Exact Mass514.13
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C(/C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H23FN4O6S/c1-16-4-13-22(14-23(16)29(31)32)36(33,34)28(20-9-11-21(35-3)12-10-20)15-24(30)27-26-17(2)18-5-7-19(25)8-6-18/h4-14H,15H2,1-3H3,(H,27,30)/b26-17-
InChIKeyFFQCLMFLAQFPIB-ONUIUJJFSA-N
XLogP3.79
TPSA131.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43885581
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 137044518
N-(4-iodophenyl)-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 2890634
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 125048873
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43879267
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 43896632
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2897162
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2860878
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30227302
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217825

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide (CID 6146556) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)N/N=C(/C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is FFQCLMFLAQFPIB-ONUIUJJFSA-N. The full InChI is InChI=1S/C24H23FN4O6S/c1-16-4-13-22(14-23(16)29(31)32)36(33,34)28(20-9-11-21(35-3)12-10-20)15-24(30)27-26-17(2)18-5-7-19(25)8-6-18/h4-14H,15H2,1-3H3,(H,27,30)/b26-17-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 514.54 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 6146556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).