2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide

C23H22FN3O3S — CID 6042405

IUPAC2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(N(CC(=O)N/N=C\c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FN3O3S/c1-17-6-10-21(11-7-17)27(31(29,30)22-12-8-20(24)9-13-22)16-23(28)26-25-15-19-5-3-4-18(2)14-19/h3-15H,16H2,1-2H3,(H,26,28)/b25-15-
InChIKeyCEARCPNHAHIZBH-MYYYXRDXSA-N
MW439.51 g/mol
LogP3.79
Rot. Bonds7

About 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide (PubChem CID 6042405) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
PubChem CID6042405
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(N(CC(=O)N/N=C\c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FN3O3S/c1-17-6-10-21(11-7-17)27(31(29,30)22-12-8-20(24)9-13-22)16-23(28)26-25-15-19-5-3-4-18(2)14-19/h3-15H,16H2,1-2H3,(H,26,28)/b25-15-
InChIKeyCEARCPNHAHIZBH-MYYYXRDXSA-N
XLogP3.79
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.79
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)-4-methylanilino]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 2249406
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 92644372
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 92661473
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92644226
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 4530231
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6022806
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 5073136
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 92661504
N-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 92661477
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 126132908
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 43879179
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6185062

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide (CID 6042405) is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide is Cc1ccc(N(CC(=O)N/N=C\c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is CEARCPNHAHIZBH-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-17-6-10-21(11-7-17)27(31(29,30)22-12-8-20(24)9-13-22)16-23(28)26-25-15-19-5-3-4-18(2)14-19/h3-15H,16H2,1-2H3,(H,26,28)/b25-15-.
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide?
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 439.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6042405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).