(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate

C18H17ClN2O4S — CID 7879714

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
SMILESO=C(Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C18H17ClN2O4S/c19-12-5-6-13(14(10-12)20-17(23)15-4-3-9-26-15)18(24)25-11-16(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2,(H,20,23)
InChIKeyLWSABLAITZXGPB-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.43
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate (PubChem CID 7879714) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
PubChem CID7879714
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
SMILESO=C(Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCC1)c1cccs1
InChIInChI=1S/C18H17ClN2O4S/c19-12-5-6-13(14(10-12)20-17(23)15-4-3-9-26-15)18(24)25-11-16(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2,(H,20,23)
InChIKeyLWSABLAITZXGPB-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51147954
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793
(3,3-dimethyl-2-oxobutyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879705
(2-oxo-2-piperidin-1-ylethyl) 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate
CID 9318888
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879659
(2-oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate
CID 2356154
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2448127
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzoate
CID 5341379
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
CID 4858613
N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 164851927
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate (CID 7879714) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate is O=C(Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCC1)c1cccs1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate?
The InChIKey is LWSABLAITZXGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c19-12-5-6-13(14(10-12)20-17(23)15-4-3-9-26-15)18(24)25-11-16(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2,(H,20,23).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate has a molecular weight of 392.86 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 7879714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).