[1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C15H19FN2O5S — CID 168675257

IUPAC[1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(=O)Nc1ccc(OC)cc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H19FN2O5S/c1-3-14(19)17-12-5-4-11(23-2)7-13(12)18-8-10(6-15(18)20)9-24(16,21)22/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,17,19)
InChIKeyAMPQTWMAIFEODP-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.70
Rot. Bonds6

About [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675257) has the molecular formula C15H19FN2O5S and a molecular weight of 358.39 g/mol. Its IUPAC name is [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675257
Molecular FormulaC15H19FN2O5S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC Name[1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCC(=O)Nc1ccc(OC)cc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H19FN2O5S/c1-3-14(19)17-12-5-4-11(23-2)7-13(12)18-8-10(6-15(18)20)9-24(16,21)22/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,17,19)
InChIKeyAMPQTWMAIFEODP-UHFFFAOYSA-N
XLogP1.70
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]phenyl]acetamide
CID 168680711
[1-(2-fluoro-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675660
[1-(2,5-diethoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675378
[1-(4-methoxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675758
methyl 3-amino-4-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168675534
4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168681151
[1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675862
N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide
CID 168684034
methyl 2-bromo-5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168675576
methyl 2-bromo-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168675587
[1-(2-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675726
[1-(6-methoxy-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676052

Frequently Asked Questions

What is the IUPAC name of [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675257) is [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCC(=O)Nc1ccc(OC)cc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is AMPQTWMAIFEODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O5S/c1-3-14(19)17-12-5-4-11(23-2)7-13(12)18-8-10(6-15(18)20)9-24(16,21)22/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,17,19).
What are the key properties of [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 358.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-methoxy-2-(propanoylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).