2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide

C16H22FN3O4S — CID 131905888

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide
SMILESCCCN1CC(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1=O
InChIInChI=1S/C16H22FN3O4S/c1-3-7-19-10-13(9-16(19)22)18-15(21)11-20(25(2,23)24)14-6-4-5-12(17)8-14/h4-6,8,13H,3,7,9-11H2,1-2H3,(H,18,21)
InChIKeyUJSITYWDBQFGAF-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.72
Rot. Bonds7

About 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide

2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide (PubChem CID 131905888) has the molecular formula C16H22FN3O4S and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide
PubChem CID131905888
Molecular FormulaC16H22FN3O4S
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide
SMILESCCCN1CC(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1=O
InChIInChI=1S/C16H22FN3O4S/c1-3-7-19-10-13(9-16(19)22)18-15(21)11-20(25(2,23)24)14-6-4-5-12(17)8-14/h4-6,8,13H,3,7,9-11H2,1-2H3,(H,18,21)
InChIKeyUJSITYWDBQFGAF-UHFFFAOYSA-N
XLogP0.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
2-[cyclopentyl(methyl)amino]-N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712178
2-[cyclopentyl(methyl)amino]-N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95712179
N-cyclopropyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30265654
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
ethyl 4-[2-(3-fluoro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1006889
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 93486649
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 1090625
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155927

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide (CID 131905888) is 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide is CCCN1CC(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1=O.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide?
The InChIKey is UJSITYWDBQFGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S/c1-3-7-19-10-13(9-16(19)22)18-15(21)11-20(25(2,23)24)14-6-4-5-12(17)8-14/h4-6,8,13H,3,7,9-11H2,1-2H3,(H,18,21).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide has a molecular weight of 371.43 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 131905888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).