2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide

C14H19FN2O4S — CID 132776872

IUPAC2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide
SMILESCOCC1(CC(N)=O)CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-21-10-14(9-13(16)18)7-4-8-17(14)22(19,20)12-6-3-2-5-11(12)15/h2-3,5-6H,4,7-10H2,1H3,(H2,16,18)
InChIKeyKAPDLCOLRWKKAK-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.87
Rot. Bonds6

About 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide

2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide (PubChem CID 132776872) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide
PubChem CID132776872
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide
SMILESCOCC1(CC(N)=O)CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-21-10-14(9-13(16)18)7-4-8-17(14)22(19,20)12-6-3-2-5-11(12)15/h2-3,5-6H,4,7-10H2,1H3,(H2,16,18)
InChIKeyKAPDLCOLRWKKAK-UHFFFAOYSA-N
XLogP0.87
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 124971945
2-[2-(methoxymethyl)-1-(4-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]acetamide
CID 132777303
2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide
CID 132776492
2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 110081253
2-[1-[2-(dimethylamino)-2-oxoethyl]-2-(methoxymethyl)pyrrolidin-2-yl]acetamide
CID 132962235
1-(3-fluoro-4-methylphenyl)sulfonyl-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 154744979
2-[2-(methoxymethyl)-1-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetyl]pyrrolidin-2-yl]acetamide
CID 132764656
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
(3S)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418013
(3R)-8-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418014

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide (CID 132776872) is 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide is COCC1(CC(N)=O)CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide?
The InChIKey is KAPDLCOLRWKKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-21-10-14(9-13(16)18)7-4-8-17(14)22(19,20)12-6-3-2-5-11(12)15/h2-3,5-6H,4,7-10H2,1H3,(H2,16,18).
What are the key properties of 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide?
2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 132776872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).