[4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

C21H22N2O4S — CID 55360204

IUPAC[4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Nc1ccc(OC(=O)C2CC(=O)N(C3CCCC3)C2)cc1)c1cccs1
InChIInChI=1S/C21H22N2O4S/c24-19-12-14(13-23(19)16-4-1-2-5-16)21(26)27-17-9-7-15(8-10-17)22-20(25)18-6-3-11-28-18/h3,6-11,14,16H,1-2,4-5,12-13H2,(H,22,25)
InChIKeyVZQYJPMUPLRAFW-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.70
Rot. Bonds5

About [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate

[4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 55360204) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
PubChem CID55360204
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Nc1ccc(OC(=O)C2CC(=O)N(C3CCCC3)C2)cc1)c1cccs1
InChIInChI=1S/C21H22N2O4S/c24-19-12-14(13-23(19)16-4-1-2-5-16)21(26)27-17-9-7-15(8-10-17)22-20(25)18-6-3-11-28-18/h3,6-11,14,16H,1-2,4-5,12-13H2,(H,22,25)
InChIKeyVZQYJPMUPLRAFW-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 31493553
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopiperidin-1-yl)benzoate
CID 32981938
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 34752632
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 131906342
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953129
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
CID 94186669

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate (CID 55360204) is [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is O=C(Nc1ccc(OC(=O)C2CC(=O)N(C3CCCC3)C2)cc1)c1cccs1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is VZQYJPMUPLRAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-19-12-14(13-23(19)16-4-1-2-5-16)21(26)27-17-9-7-15(8-10-17)22-20(25)18-6-3-11-28-18/h3,6-11,14,16H,1-2,4-5,12-13H2,(H,22,25).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate?
[4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 398.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonylamino)phenyl] 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 55360204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).