propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate

C19H22FNO5S — CID 50893485

IUPACpropan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate
SMILESCCOc1ccccc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO5S/c1-4-25-18-8-6-5-7-17(18)21(13-19(22)26-14(2)3)27(23,24)16-11-9-15(20)10-12-16/h5-12,14H,4,13H2,1-3H3
InChIKeyRKKDPRRIPKYAQX-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.37
Rot. Bonds8

About propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate

propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate (PubChem CID 50893485) has the molecular formula C19H22FNO5S and a molecular weight of 395.45 g/mol. Its IUPAC name is propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate
PubChem CID50893485
Molecular FormulaC19H22FNO5S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Namepropan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate
SMILESCCOc1ccccc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO5S/c1-4-25-18-8-6-5-7-17(18)21(13-19(22)26-14(2)3)27(23,24)16-11-9-15(20)10-12-16/h5-12,14H,4,13H2,1-3H3
InChIKeyRKKDPRRIPKYAQX-UHFFFAOYSA-N
XLogP3.37
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50893439
propan-2-yl 2-(2-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890448
propan-2-yl 2-[N-(benzenesulfonyl)-2-fluoroanilino]acetate
CID 50890112
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2-methylanilino)acetate
CID 50889568
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
CID 50894603
2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 50893491
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50891408
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-butylpropanamide
CID 132743074
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2232163
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92684823

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate?
The IUPAC name of propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate (CID 50893485) is propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate?
The canonical SMILES for propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate is CCOc1ccccc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate?
The InChIKey is RKKDPRRIPKYAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5S/c1-4-25-18-8-6-5-7-17(18)21(13-19(22)26-14(2)3)27(23,24)16-11-9-15(20)10-12-16/h5-12,14H,4,13H2,1-3H3.
What are the key properties of propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate?
propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate has a molecular weight of 395.45 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50893485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).