1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide

C24H26N2O3S — CID 55397699

IUPAC1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S/c1-2-5-17-8-10-18(11-9-17)23(21-7-4-13-30-21)25-24(28)19-14-22(27)26(15-19)16-20-6-3-12-29-20/h3-4,6-13,19,23H,2,5,14-16H2,1H3,(H,25,28)
InChIKeyOVBQEYGEMIJJGH-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.55
Rot. Bonds8

About 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide (PubChem CID 55397699) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide
PubChem CID55397699
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S/c1-2-5-17-8-10-18(11-9-17)23(21-7-4-13-30-21)25-24(28)19-14-22(27)26(15-19)16-20-6-3-12-29-20/h3-4,6-13,19,23H,2,5,14-16H2,1H3,(H,25,28)
InChIKeyOVBQEYGEMIJJGH-UHFFFAOYSA-N
XLogP4.55
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 35751451
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9398778
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42904565
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
N-[1-(3-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75807379
2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
CID 119192065
methyl (2R,3S)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoate
CID 100900759
(3R)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968878

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide (CID 55397699) is 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide is CCCc1ccc(C(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c2cccs2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide?
The InChIKey is OVBQEYGEMIJJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-2-5-17-8-10-18(11-9-17)23(21-7-4-13-30-21)25-24(28)19-14-22(27)26(15-19)16-20-6-3-12-29-20/h3-4,6-13,19,23H,2,5,14-16H2,1H3,(H,25,28).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55397699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).