2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one

C19H20N2O5S — CID 110421495

IUPAC2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2cccc(C(=O)N3CCC(c4ccco4)C3)c2)C1=O
InChIInChI=1S/C19H20N2O5S/c1-13-12-27(24,25)21(18(13)22)16-5-2-4-14(10-16)19(23)20-8-7-15(11-20)17-6-3-9-26-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3
InChIKeyLBYPEWKKAKANCX-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.22
Rot. Bonds3

About 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one

2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 110421495) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID110421495
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2cccc(C(=O)N3CCC(c4ccco4)C3)c2)C1=O
InChIInChI=1S/C19H20N2O5S/c1-13-12-27(24,25)21(18(13)22)16-5-2-4-14(10-16)19(23)20-8-7-15(11-20)17-6-3-9-26-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3
InChIKeyLBYPEWKKAKANCX-UHFFFAOYSA-N
XLogP2.22
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347158
(4S)-2-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 42228069
(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110612224
(3-bromo-4-methoxyphenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110424514
4-methyl-1,1-dioxo-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one
CID 20996614
N-(3-methylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347887
[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 97212484
1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
CID 26824225
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170
N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347946
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
CID 42347308

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 110421495) is 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is CC1CS(=O)(=O)N(c2cccc(C(=O)N3CCC(c4ccco4)C3)c2)C1=O.
What is the InChIKey of 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is LBYPEWKKAKANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13-12-27(24,25)21(18(13)22)16-5-2-4-14(10-16)19(23)20-8-7-15(11-20)17-6-3-9-26-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3.
What are the key properties of 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 388.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 110421495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).