N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide

C19H21FN4O4S — CID 126133464

IUPACN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21FN4O4S/c1-13(15-6-4-8-17(10-15)21-14(2)25)22-23-19(26)12-24(29(3,27)28)18-9-5-7-16(20)11-18/h4-11H,12H2,1-3H3,(H,21,25)(H,23,26)/b22-13-
InChIKeyIPKZQWVXHLHSRU-XKZIYDEJSA-N
MW420.47 g/mol
LogP2.09
Rot. Bonds7

About N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 126133464) has the molecular formula C19H21FN4O4S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID126133464
Molecular FormulaC19H21FN4O4S
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21FN4O4S/c1-13(15-6-4-8-17(10-15)21-14(2)25)22-23-19(26)12-24(29(3,27)28)18-9-5-7-16(20)11-18/h4-11H,12H2,1-3H3,(H,21,25)(H,23,26)/b22-13-
InChIKeyIPKZQWVXHLHSRU-XKZIYDEJSA-N
XLogP2.09
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43879610
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]acetamide
CID 126030461
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589076
N-[3-[N-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-3-chlorobenzamide
CID 2893050
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589050
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156816
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033899

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide (CID 126133464) is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide is CC(=O)Nc1cccc(/C(C)=N\NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is IPKZQWVXHLHSRU-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H21FN4O4S/c1-13(15-6-4-8-17(10-15)21-14(2)25)22-23-19(26)12-24(29(3,27)28)18-9-5-7-16(20)11-18/h4-11H,12H2,1-3H3,(H,21,25)(H,23,26)/b22-13-.
What are the key properties of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide?
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126133464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).