methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate

C18H18N2O5S — CID 35748488

IUPACmethyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1
InChIInChI=1S/C18H18N2O5S/c1-24-13-5-3-12(4-6-13)20-10-11(9-16(20)21)17(22)19-15-8-7-14(26-15)18(23)25-2/h3-8,11H,9-10H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyZDWAIFMAPRWNIG-NSHDSACASA-N
MW374.42 g/mol
LogP2.53
Rot. Bonds5

About methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate

methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 35748488) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID35748488
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Namemethyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1
InChIInChI=1S/C18H18N2O5S/c1-24-13-5-3-12(4-6-13)20-10-11(9-16(20)21)17(22)19-15-8-7-14(26-15)18(23)25-2/h3-8,11H,9-10H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyZDWAIFMAPRWNIG-NSHDSACASA-N
XLogP2.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
dimethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 6493190
(3S)-1-(4-methoxyphenyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7483767
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7369838
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate (CID 35748488) is methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1.
What is the InChIKey of methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is ZDWAIFMAPRWNIG-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-24-13-5-3-12(4-6-13)20-10-11(9-16(20)21)17(22)19-15-8-7-14(26-15)18(23)25-2/h3-8,11H,9-10H2,1-2H3,(H,19,22)/t11-/m0/s1.
What are the key properties of methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 35748488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).