N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

C23H24N2O4S — CID 71781358

IUPACN-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N(CCc3cccs3)Cc3ccco3)CC2=O)c1
InChIInChI=1S/C23H24N2O4S/c1-28-19-6-2-5-18(14-19)25-15-17(13-22(25)26)23(27)24(16-20-7-3-11-29-20)10-9-21-8-4-12-30-21/h2-8,11-12,14,17H,9-10,13,15-16H2,1H3
InChIKeyYSROHWCGPXGPFR-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.97
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 71781358) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID71781358
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)N(CCc3cccs3)Cc3ccco3)CC2=O)c1
InChIInChI=1S/C23H24N2O4S/c1-28-19-6-2-5-18(14-19)25-15-17(13-22(25)26)23(27)24(16-20-7-3-11-29-20)10-9-21-8-4-12-30-21/h2-8,11-12,14,17H,9-10,13,15-16H2,1H3
InChIKeyYSROHWCGPXGPFR-UHFFFAOYSA-N
XLogP3.97
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 134059206
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55556697
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
(3R)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767497
(3S)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767495
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 51103022
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495815
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 39992942
N-cyclopropyl-1-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46450259
(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 8010743
(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 94006173

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (CID 71781358) is N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)N(CCc3cccs3)Cc3ccco3)CC2=O)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is YSROHWCGPXGPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-28-19-6-2-5-18(14-19)25-15-17(13-22(25)26)23(27)24(16-20-7-3-11-29-20)10-9-21-8-4-12-30-21/h2-8,11-12,14,17H,9-10,13,15-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71781358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).