(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C22H22N2O3S — CID 8010743

IUPAC(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1C[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)CN1Cc1ccccc1
InChIInChI=1S/C22H22N2O3S/c25-21-12-18(14-23(21)13-17-6-2-1-3-7-17)22(26)24(15-19-8-4-10-27-19)16-20-9-5-11-28-20/h1-11,18H,12-16H2/t18-/m1/s1
InChIKeyBINNYMSPKISWPW-GOSISDBHSA-N
MW394.50 g/mol
LogP3.92
Rot. Bonds7

About (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 8010743) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID8010743
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1C[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)CN1Cc1ccccc1
InChIInChI=1S/C22H22N2O3S/c25-21-12-18(14-23(21)13-17-6-2-1-3-7-17)22(26)24(15-19-8-4-10-27-19)16-20-9-5-11-28-20/h1-11,18H,12-16H2/t18-/m1/s1
InChIKeyBINNYMSPKISWPW-GOSISDBHSA-N
XLogP3.92
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-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

N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 134059206
(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
CID 8008983
methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55514579
N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959
2-[(4-chlorophenyl)methyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119193558
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 8010743) is (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is O=C1C[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)CN1Cc1ccccc1.
What is the InChIKey of (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is BINNYMSPKISWPW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-21-12-18(14-23(21)13-17-6-2-1-3-7-17)22(26)24(15-19-8-4-10-27-19)16-20-9-5-11-28-20/h1-11,18H,12-16H2/t18-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 8010743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).