N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide

C19H23FN2OS — CID 119754149

IUPACN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)C1CCNC1
InChIInChI=1S/C19H23FN2OS/c1-13(2)22(19(23)15-8-9-21-11-15)12-17-6-7-18(24-17)14-4-3-5-16(20)10-14/h3-7,10,13,15,21H,8-9,11-12H2,1-2H3
InChIKeyLLKLAGADKKFRNW-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.90
Rot. Bonds5

About N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide

N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 119754149) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID119754149
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC NameN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)C1CCNC1
InChIInChI=1S/C19H23FN2OS/c1-13(2)22(19(23)15-8-9-21-11-15)12-17-6-7-18(24-17)14-4-3-5-16(20)10-14/h3-7,10,13,15,21H,8-9,11-12H2,1-2H3
InChIKeyLLKLAGADKKFRNW-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide (CID 119754149) is N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)C1CCNC1.
What is the InChIKey of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LLKLAGADKKFRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-13(2)22(19(23)15-8-9-21-11-15)12-17-6-7-18(24-17)14-4-3-5-16(20)10-14/h3-7,10,13,15,21H,8-9,11-12H2,1-2H3.
What are the key properties of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide?
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119754149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).