(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide

C20H25N3O2S — CID 32630812

IUPAC(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C20H25N3O2S/c1-22(2)18(16-8-9-26-14-16)11-21-20(25)17-10-19(24)23(13-17)12-15-6-4-3-5-7-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,21,25)/t17-,18-/m1/s1
InChIKeyLOXRVLQKALWYJN-QZTJIDSGSA-N
MW371.51 g/mol
LogP2.52
Rot. Bonds7

About (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 32630812) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID32630812
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C20H25N3O2S/c1-22(2)18(16-8-9-26-14-16)11-21-20(25)17-10-19(24)23(13-17)12-15-6-4-3-5-7-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,21,25)/t17-,18-/m1/s1
InChIKeyLOXRVLQKALWYJN-QZTJIDSGSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55660221
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 9465398
1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46592191
2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233557
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78868466
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119528368
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
1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
CID 75398712
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 47024260

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide (CID 32630812) is (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccsc1.
What is the InChIKey of (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LOXRVLQKALWYJN-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-22(2)18(16-8-9-26-14-16)11-21-20(25)17-10-19(24)23(13-17)12-15-6-4-3-5-7-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,21,25)/t17-,18-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 32630812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).