2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate

C18H20FNO5S — CID 24661817

IUPAC2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO5S/c1-13-7-9-15(10-8-13)26(22,23)20-14(2)18(21)25-12-11-24-17-6-4-3-5-16(17)19/h3-10,14,20H,11-12H2,1-2H3
InChIKeyVEEAEQVTMXUHJN-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.42
Rot. Bonds8

About 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate

2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 24661817) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID24661817
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Name2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO5S/c1-13-7-9-15(10-8-13)26(22,23)20-14(2)18(21)25-12-11-24-17-6-4-3-5-16(17)19/h3-10,14,20H,11-12H2,1-2H3
InChIKeyVEEAEQVTMXUHJN-UHFFFAOYSA-N
XLogP2.42
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.42
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-(2-methylphenoxy)ethyl 2-(benzenesulfonamido)propanoate
CID 55326748
2-(4-chlorophenoxy)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8844031
2-(3-chlorophenoxy)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565576
2-(methylamino)ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 175911375
butyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24670806
2-(4-methylphenoxy)ethyl 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55323838
(2,3,4,5,6-pentafluorophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 42902975
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 24517742
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
naphthalen-2-yloxymethyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 70347899
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8843884
benzyl (2R)-2-[[4-(4-methylanilino)phenyl]sulfonylamino]propanoate
CID 70157814

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate (CID 24661817) is 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)NC(C)C(=O)OCCOc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is VEEAEQVTMXUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-13-7-9-15(10-8-13)26(22,23)20-14(2)18(21)25-12-11-24-17-6-4-3-5-16(17)19/h3-10,14,20H,11-12H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate?
2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 381.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 24661817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).