N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C19H21FN2O3S — CID 51198575

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCSCc1ccccc1F)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C19H21FN2O3S/c20-17-6-2-1-4-14(17)13-26-9-7-21-19(24)15-10-18(23)22(11-15)12-16-5-3-8-25-16/h1-6,8,15H,7,9-13H2,(H,21,24)
InChIKeyVDLVIHTZGQNYQG-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.82
Rot. Bonds8

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51198575) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51198575
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCSCc1ccccc1F)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C19H21FN2O3S/c20-17-6-2-1-4-14(17)13-26-9-7-21-19(24)15-10-18(23)22(11-15)12-16-5-3-8-25-16/h1-6,8,15H,7,9-13H2,(H,21,24)
InChIKeyVDLVIHTZGQNYQG-UHFFFAOYSA-N
XLogP2.82
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4803608
(3R)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968722
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 51237853
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43003170
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55336569
(3S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018474
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 51198575) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCSCc1ccccc1F)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VDLVIHTZGQNYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-17-6-2-1-4-14(17)13-26-9-7-21-19(24)15-10-18(23)22(11-15)12-16-5-3-8-25-16/h1-6,8,15H,7,9-13H2,(H,21,24).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51198575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).