2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide

C19H23FN2O5S — CID 3380289

IUPAC2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCOC)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O5S/c1-3-27-17-8-6-16(7-9-17)22(14-19(23)21-12-13-26-2)28(24,25)18-10-4-15(20)5-11-18/h4-11H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyBMZBTZWSSGYBMZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.18
Rot. Bonds10

About 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 3380289) has the molecular formula C19H23FN2O5S and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
PubChem CID3380289
Molecular FormulaC19H23FN2O5S
Molecular Weight410.47 g/mol
Exact Mass410.13
IUPAC Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCOC)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O5S/c1-3-27-17-8-6-16(7-9-17)22(14-19(23)21-12-13-26-2)28(24,25)18-10-4-15(20)5-11-18/h4-11H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyBMZBTZWSSGYBMZ-UHFFFAOYSA-N
XLogP2.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 3909572
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30249385
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 126412122
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30249448
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 43898977
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 5020790
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057159
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30250363
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 126415843
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-methoxyethyl)acetamide
CID 19798440
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30249527

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide (CID 3380289) is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide is CCOc1ccc(N(CC(=O)NCCOC)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is BMZBTZWSSGYBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O5S/c1-3-27-17-8-6-16(7-9-17)22(14-19(23)21-12-13-26-2)28(24,25)18-10-4-15(20)5-11-18/h4-11H,3,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide?
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3380289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).