ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate

C20H22N2O4S — CID 42905570

IUPACethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1C
InChIInChI=1S/C20H22N2O4S/c1-3-26-20(25)18-13(2)9-16(27-18)21-19(24)15-10-17(23)22(12-15)11-14-7-5-4-6-8-14/h4-9,15H,3,10-12H2,1-2H3,(H,21,24)
InChIKeyLYJNNTOUJCECAO-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.22
Rot. Bonds6

About ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate

ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate (PubChem CID 42905570) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
PubChem CID42905570
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Nameethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1C
InChIInChI=1S/C20H22N2O4S/c1-3-26-20(25)18-13(2)9-16(27-18)21-19(24)15-10-17(23)22(12-15)11-14-7-5-4-6-8-14/h4-9,15H,3,10-12H2,1-2H3,(H,21,24)
InChIKeyLYJNNTOUJCECAO-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-5-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 43424052
ethyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885570
ethyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-4-carboxylate
CID 108755533
ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 26901059
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
ethyl 4-cyano-3-methyl-5-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 55336727
ethyl 2-[2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 16602610
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate (CID 42905570) is ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1C.
What is the InChIKey of ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The InChIKey is LYJNNTOUJCECAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-26-20(25)18-13(2)9-16(27-18)21-19(24)15-10-17(23)22(12-15)11-14-7-5-4-6-8-14/h4-9,15H,3,10-12H2,1-2H3,(H,21,24).
What are the key properties of ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 42905570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).