2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide

C19H19F4NO4S — CID 55811519

IUPAC2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19F4NO4S/c1-3-10-28-17-9-4-13(19(21,22)23)11-16(17)24-18(25)12(2)29(26,27)15-7-5-14(20)6-8-15/h4-9,11-12H,3,10H2,1-2H3,(H,24,25)
InChIKeyFWMLUBFTQQWPJK-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.43
Rot. Bonds7

About 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide

2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 55811519) has the molecular formula C19H19F4NO4S and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
PubChem CID55811519
Molecular FormulaC19H19F4NO4S
Molecular Weight433.42 g/mol
Exact Mass433.10
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19F4NO4S/c1-3-10-28-17-9-4-13(19(21,22)23)11-16(17)24-18(25)12(2)29(26,27)15-7-5-14(20)6-8-15/h4-9,11-12H,3,10H2,1-2H3,(H,24,25)
InChIKeyFWMLUBFTQQWPJK-UHFFFAOYSA-N
XLogP4.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 38905531
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 112765286
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 55524220
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833918

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide (CID 55811519) is 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FWMLUBFTQQWPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO4S/c1-3-10-28-17-9-4-13(19(21,22)23)11-16(17)24-18(25)12(2)29(26,27)15-7-5-14(20)6-8-15/h4-9,11-12H,3,10H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 433.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55811519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).