N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide

C17H17FN2O2S — CID 16919520

IUPACN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)c1cccs1
InChIInChI=1S/C17H17FN2O2S/c18-14-5-3-12(4-6-14)10-20-11-13(8-16(20)21)9-19-17(22)15-2-1-7-23-15/h1-7,13H,8-11H2,(H,19,22)
InChIKeyINTRNUJRMOQBDW-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.67
Rot. Bonds5

About N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide

N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 16919520) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID16919520
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)c1cccs1
InChIInChI=1S/C17H17FN2O2S/c18-14-5-3-12(4-6-14)10-20-11-13(8-16(20)21)9-19-17(22)15-2-1-7-23-15/h1-7,13H,8-11H2,(H,19,22)
InChIKeyINTRNUJRMOQBDW-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide (CID 16919520) is N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)c1cccs1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is INTRNUJRMOQBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-14-5-3-12(4-6-14)10-20-11-13(8-16(20)21)9-19-17(22)15-2-1-7-23-15/h1-7,13H,8-11H2,(H,19,22).
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16919520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).