3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide

C17H19FN2O5S — CID 71912169

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(O)cc(F)c2)cc1
InChIInChI=1S/C17H19FN2O5S/c1-2-25-15-3-5-16(6-4-15)26(23,24)19-8-7-17(22)20-13-9-12(18)10-14(21)11-13/h3-6,9-11,19,21H,2,7-8H2,1H3,(H,20,22)
InChIKeyGENQEOVQPFXOGG-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.24
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide (PubChem CID 71912169) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide
PubChem CID71912169
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(O)cc(F)c2)cc1
InChIInChI=1S/C17H19FN2O5S/c1-2-25-15-3-5-16(6-4-15)26(23,24)19-8-7-17(22)20-13-9-12(18)10-14(21)11-13/h3-6,9-11,19,21H,2,7-8H2,1H3,(H,20,22)
InChIKeyGENQEOVQPFXOGG-UHFFFAOYSA-N
XLogP2.24
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)propanamide
CID 18109310
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
CID 46461279
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 51214621
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide (CID 71912169) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(O)cc(F)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide?
The InChIKey is GENQEOVQPFXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-2-25-15-3-5-16(6-4-15)26(23,24)19-8-7-17(22)20-13-9-12(18)10-14(21)11-13/h3-6,9-11,19,21H,2,7-8H2,1H3,(H,20,22).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide has a molecular weight of 382.41 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide is sourced from PubChem (CID 71912169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).