methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate

C18H20FNO5S — CID 50894823

IUPACmethyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate
SMILESCCCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO5S/c1-3-12-25-16-8-6-15(7-9-16)20(13-18(21)24-2)26(22,23)17-10-4-14(19)5-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyPJCKCTWWRXQAMT-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.98
Rot. Bonds8

About methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate

methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate (PubChem CID 50894823) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate
PubChem CID50894823
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Namemethyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate
SMILESCCCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO5S/c1-3-12-25-16-8-6-15(7-9-16)20(13-18(21)24-2)26(22,23)17-10-4-14(19)5-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeyPJCKCTWWRXQAMT-UHFFFAOYSA-N
XLogP2.98
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[N-(benzenesulfonyl)-4-propoxyanilino]acetate
CID 50894913
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50889690
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 3909572
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 3380289
methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50892994
2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetamide
CID 50889711
N,N-diethyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 3971622
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100504078
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
methyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503125
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126415763
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126346344

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate?
The IUPAC name of methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate (CID 50894823) is methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate.
What is the SMILES notation for methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate?
The canonical SMILES for methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate is CCCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate?
The InChIKey is PJCKCTWWRXQAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-3-12-25-16-8-6-15(7-9-16)20(13-18(21)24-2)26(22,23)17-10-4-14(19)5-11-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate?
methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate has a molecular weight of 381.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(4-fluorophenyl)sulfonyl-4-propoxyanilino)acetate is sourced from PubChem (CID 50894823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).