N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide

C23H21FN2O4S — CID 177411301

IUPACN-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide
SMILESCCOc1ccccc1N(/C=N/S(=O)(=O)c1ccc(C)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O4S/c1-3-30-22-7-5-4-6-21(22)26(23(27)18-10-12-19(24)13-11-18)16-25-31(28,29)20-14-8-17(2)9-15-20/h4-16H,3H2,1-2H3/b25-16+
InChIKeyIUAKGAPGELCMGV-PCLIKHOPSA-N
MW440.50 g/mol
LogP4.60
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide

N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide (PubChem CID 177411301) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide
PubChem CID177411301
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide
SMILESCCOc1ccccc1N(/C=N/S(=O)(=O)c1ccc(C)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O4S/c1-3-30-22-7-5-4-6-21(22)26(23(27)18-10-12-19(24)13-11-18)16-25-31(28,29)20-14-8-17(2)9-15-20/h4-16H,3H2,1-2H3/b25-16+
InChIKeyIUAKGAPGELCMGV-PCLIKHOPSA-N
XLogP4.60
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50893461
propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50893439
propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50893485
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 92684826
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
N-cyclohexyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998717
N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095185
N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 146170089
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172640

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide (CID 177411301) is N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide is CCOc1ccccc1N(/C=N/S(=O)(=O)c1ccc(C)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide?
The InChIKey is IUAKGAPGELCMGV-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-3-30-22-7-5-4-6-21(22)26(23(27)18-10-12-19(24)13-11-18)16-25-31(28,29)20-14-8-17(2)9-15-20/h4-16H,3H2,1-2H3/b25-16+.
What are the key properties of N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide?
N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-fluoro-N-[(E)-(4-methylphenyl)sulfonyliminomethyl]benzamide is sourced from PubChem (CID 177411301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).