N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

C21H20N2O3S — CID 42905931

IUPACN-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC(C(=O)NCc3ccco3)C2c2cccs2)cc1
InChIInChI=1S/C21H20N2O3S/c1-14-6-8-15(9-7-14)23-19(24)12-17(20(23)18-5-3-11-27-18)21(25)22-13-16-4-2-10-26-16/h2-11,17,20H,12-13H2,1H3,(H,22,25)
InChIKeyMIENOFXPTHCKJF-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.06
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 42905931) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID42905931
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC(C(=O)NCc3ccco3)C2c2cccs2)cc1
InChIInChI=1S/C21H20N2O3S/c1-14-6-8-15(9-7-14)23-19(24)12-17(20(23)18-5-3-11-27-18)21(25)22-13-16-4-2-10-26-16/h2-11,17,20H,12-13H2,1H3,(H,22,25)
InChIKeyMIENOFXPTHCKJF-UHFFFAOYSA-N
XLogP4.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-N-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 2557865
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55613841
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86892074
1-(4-methylphenyl)-5-oxo-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86974222
methyl N-[4-[[[1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55732163
(2R,3S)-1-(4-methylphenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 30483407
1-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55822927
N-[(4-methylmorpholin-2-yl)methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86880313
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 9117303
(2R,3S)-N-[(2S)-1-cyanopropan-2-yl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 52536685
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(2-oxo-1H-pyridin-3-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 95139249
(2S,3S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 26908261

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (CID 42905931) is N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is Cc1ccc(N2C(=O)CC(C(=O)NCc3ccco3)C2c2cccs2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is MIENOFXPTHCKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-6-8-15(9-7-14)23-19(24)12-17(20(23)18-5-3-11-27-18)21(25)22-13-16-4-2-10-26-16/h2-11,17,20H,12-13H2,1H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42905931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).