1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C17H18N2O3S — CID 78768111

IUPAC1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H18N2O3S/c1-23-15-7-3-2-6-14(15)18-17(21)12-9-16(20)19(10-12)11-13-5-4-8-22-13/h2-8,12H,9-11H2,1H3,(H,18,21)
InChIKeyBLVHQNHUXVDFBA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.99
Rot. Bonds5

About 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78768111) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78768111
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H18N2O3S/c1-23-15-7-3-2-6-14(15)18-17(21)12-9-16(20)19(10-12)11-13-5-4-8-22-13/h2-8,12H,9-11H2,1H3,(H,18,21)
InChIKeyBLVHQNHUXVDFBA-UHFFFAOYSA-N
XLogP2.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42908533
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 34954333
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
(3R)-1-(furan-2-ylmethyl)-N-(1H-indol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 95858832
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
methyl 2,4-difluoro-5-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47021167
1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78768111) is 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1ccccc1NC(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BLVHQNHUXVDFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-23-15-7-3-2-6-14(15)18-17(21)12-9-16(20)19(10-12)11-13-5-4-8-22-13/h2-8,12H,9-11H2,1H3,(H,18,21).
What are the key properties of 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78768111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).