(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide

C21H25N3O3S — CID 8008983

IUPAC(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H25N3O3S/c1-2-23(15-19(25)22-12-18-9-6-10-28-18)21(27)17-11-20(26)24(14-17)13-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyYKARFDMAPSYBJQ-QGZVFWFLSA-N
MW399.52 g/mol
LogP2.26
Rot. Bonds8

About (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide

(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 8008983) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID8008983
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H25N3O3S/c1-2-23(15-19(25)22-12-18-9-6-10-28-18)21(27)17-11-20(26)24(14-17)13-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyYKARFDMAPSYBJQ-QGZVFWFLSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

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
(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 8010743
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920317
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4963734
1-benzyl-N-[2-(diethylcarbamoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572365
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-9H-xanthene-9-carboxamide
CID 4783938
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51156736
methyl (3S)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
CID 6932471
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4782385

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide (CID 8008983) is (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is YKARFDMAPSYBJQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-2-23(15-19(25)22-12-18-9-6-10-28-18)21(27)17-11-20(26)24(14-17)13-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 8008983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).