(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate

C19H20N2O4S — CID 18194139

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C19H20N2O4S/c1-13(18(23)21-10-2-3-11-21)25-19(24)14-6-8-15(9-7-14)20-17(22)16-5-4-12-26-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyONGATRCRGQZBBQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.17
Rot. Bonds5

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate (PubChem CID 18194139) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate
PubChem CID18194139
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C19H20N2O4S/c1-13(18(23)21-10-2-3-11-21)25-19(24)14-6-8-15(9-7-14)20-17(22)16-5-4-12-26-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyONGATRCRGQZBBQ-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888808
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 27343129
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029169
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 43015410
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 27965444
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815289
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 9383823
N-[4-(piperidin-1-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9272074
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 55374936

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate (CID 18194139) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate is CC(OC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(=O)N1CCCC1.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is ONGATRCRGQZBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13(18(23)21-10-2-3-11-21)25-19(24)14-6-8-15(9-7-14)20-17(22)16-5-4-12-26-16/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,22).
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 372.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 18194139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).