1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide

C22H29N3O2S — CID 55660221

IUPAC1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C22H29N3O2S/c1-3-24(4-2)20(18-10-11-28-16-18)13-23-22(27)19-12-21(26)25(15-19)14-17-8-6-5-7-9-17/h5-11,16,19-20H,3-4,12-15H2,1-2H3,(H,23,27)
InChIKeyOVHRQJAFPCIVHU-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.30
Rot. Bonds9

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

1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55660221) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55660221
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C22H29N3O2S/c1-3-24(4-2)20(18-10-11-28-16-18)13-23-22(27)19-12-21(26)25(15-19)14-17-8-6-5-7-9-17/h5-11,16,19-20H,3-4,12-15H2,1-2H3,(H,23,27)
InChIKeyOVHRQJAFPCIVHU-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32630812
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 9465398
1-benzyl-N-[2-(diethylcarbamoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572365
2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233557
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
N-(2-amino-2-ethylbutyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119641392
1-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78868466
1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46592191
N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119528368
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
CID 75398712
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide (CID 55660221) is 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1ccsc1.
What is the InChIKey of 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OVHRQJAFPCIVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-3-24(4-2)20(18-10-11-28-16-18)13-23-22(27)19-12-21(26)25(15-19)14-17-8-6-5-7-9-17/h5-11,16,19-20H,3-4,12-15H2,1-2H3,(H,23,27).
What are the key properties of 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55660221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).