5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide

C20H25FN2O2S — CID 31054055

IUPAC5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide
SMILESCOCCN(C)C(=O)c1ccc([C@H]2CCCN2Cc2cccc(F)c2)s1
InChIInChI=1S/C20H25FN2O2S/c1-22(11-12-25-2)20(24)19-9-8-18(26-19)17-7-4-10-23(17)14-15-5-3-6-16(21)13-15/h3,5-6,8-9,13,17H,4,7,10-12,14H2,1-2H3/t17-/m1/s1
InChIKeyGGQCAUFPZCMRQI-QGZVFWFLSA-N
MW376.50 g/mol
LogP3.94
Rot. Bonds7

About 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide

5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide (PubChem CID 31054055) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide
PubChem CID31054055
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide
SMILESCOCCN(C)C(=O)c1ccc([C@H]2CCCN2Cc2cccc(F)c2)s1
InChIInChI=1S/C20H25FN2O2S/c1-22(11-12-25-2)20(24)19-9-8-18(26-19)17-7-4-10-23(17)14-15-5-3-6-16(21)13-15/h3,5-6,8-9,13,17H,4,7,10-12,14H2,1-2H3/t17-/m1/s1
InChIKeyGGQCAUFPZCMRQI-QGZVFWFLSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide (CID 31054055) is 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide is COCCN(C)C(=O)c1ccc([C@H]2CCCN2Cc2cccc(F)c2)s1.
What is the InChIKey of 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is GGQCAUFPZCMRQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-22(11-12-25-2)20(24)19-9-8-18(26-19)17-7-4-10-23(17)14-15-5-3-6-16(21)13-15/h3,5-6,8-9,13,17H,4,7,10-12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide?
5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 31054055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).