3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide

C24H23FN2O5S — CID 25403468

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O5S/c1-17(28)19-4-12-23(13-5-19)33(30,31)27-15-14-24(29)26-16-18-2-8-21(9-3-18)32-22-10-6-20(25)7-11-22/h2-13,27H,14-16H2,1H3,(H,26,29)
InChIKeyJAOCQOFCGYDSCH-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.81
Rot. Bonds10

About 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide (PubChem CID 25403468) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
PubChem CID25403468
Molecular FormulaC24H23FN2O5S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O5S/c1-17(28)19-4-12-23(13-5-19)33(30,31)27-15-14-24(29)26-16-18-2-8-21(9-3-18)32-22-10-6-20(25)7-11-22/h2-13,27H,14-16H2,1H3,(H,26,29)
InChIKeyJAOCQOFCGYDSCH-UHFFFAOYSA-N
XLogP3.81
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 30177375
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24644992
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
methyl 4-[[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284092

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide (CID 25403468) is 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide?
The InChIKey is JAOCQOFCGYDSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-17(28)19-4-12-23(13-5-19)33(30,31)27-15-14-24(29)26-16-18-2-8-21(9-3-18)32-22-10-6-20(25)7-11-22/h2-13,27H,14-16H2,1H3,(H,26,29).
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide has a molecular weight of 470.52 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 25403468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).