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

C19H21FN2O3S — CID 51340115

IUPAC2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)17-10-8-16(9-11-17)21-19(23)13-22-12-2-3-18(22)14-4-6-15(20)7-5-14/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyRUNBONLHVBTHIT-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.00
Rot. Bonds5

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

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 51340115) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID51340115
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-26(24,25)17-10-8-16(9-11-17)21-19(23)13-22-12-2-3-18(22)14-4-6-15(20)7-5-14/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyRUNBONLHVBTHIT-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide (CID 51340115) is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CN2CCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is RUNBONLHVBTHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-26(24,25)17-10-8-16(9-11-17)21-19(23)13-22-12-2-3-18(22)14-4-6-15(20)7-5-14/h4-11,18H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide?
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 51340115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).