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

C22H22N2O3S — CID 134059206

IUPACN-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(Cc3ccco3)Cc3cccs3)CC2=O)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-6-8-18(9-7-16)24-13-17(12-21(24)25)22(26)23(14-19-4-2-10-27-19)15-20-5-3-11-28-20/h2-11,17H,12-15H2,1H3
InChIKeyMOZYIEGJNAYZPZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.23
Rot. Bonds6

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

N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 134059206) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID134059206
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(Cc3ccco3)Cc3cccs3)CC2=O)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-6-8-18(9-7-16)24-13-17(12-21(24)25)22(26)23(14-19-4-2-10-27-19)15-20-5-3-11-28-20/h2-11,17H,12-15H2,1H3
InChIKeyMOZYIEGJNAYZPZ-UHFFFAOYSA-N
XLogP4.23
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 71781358
(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 8010743
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 39992942
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 51103022
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
N-cyclopropyl-1-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46450259
1-(1,3-benzodioxol-5-yl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55581266

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 134059206) is N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)N(Cc3ccco3)Cc3cccs3)CC2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is MOZYIEGJNAYZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-6-8-18(9-7-16)24-13-17(12-21(24)25)22(26)23(14-19-4-2-10-27-19)15-20-5-3-11-28-20/h2-11,17H,12-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 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-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 134059206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).