2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide

C20H23FN2O3S — CID 55839071

IUPAC2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2CCCC2Cc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-27(25,26)19-9-7-17(8-10-19)22-20(24)14-23-11-3-6-18(23)13-15-4-2-5-16(21)12-15/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3,(H,22,24)
InChIKeyNMOKAULGQRPEDI-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide

2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 55839071) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID55839071
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2CCCC2Cc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-27(25,26)19-9-7-17(8-10-19)22-20(24)14-23-11-3-6-18(23)13-15-4-2-5-16(21)12-15/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3,(H,22,24)
InChIKeyNMOKAULGQRPEDI-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide (CID 55839071) is 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CN2CCCC2Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is NMOKAULGQRPEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-27(25,26)19-9-7-17(8-10-19)22-20(24)14-23-11-3-6-18(23)13-15-4-2-5-16(21)12-15/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 390.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 55839071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).