N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide

C19H20N2O3S — CID 127897418

IUPACN-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCC2(C1)OCc1ccccc12
InChIInChI=1S/C19H20N2O3S/c1-13(20-17(22)16-7-4-10-25-16)18(23)21-9-8-19(12-21)15-6-3-2-5-14(15)11-24-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyAXUMHYCHQJFESI-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.52
Rot. Bonds3

About N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide

N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 127897418) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide
PubChem CID127897418
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)N1CCC2(C1)OCc1ccccc12
InChIInChI=1S/C19H20N2O3S/c1-13(20-17(22)16-7-4-10-25-16)18(23)21-9-8-19(12-21)15-6-3-2-5-14(15)11-24-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)
InChIKeyAXUMHYCHQJFESI-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]thiophene-2-carboxamide
CID 1263443
N-[1-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 154793364
N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 47135814
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47008426
2-phenylsulfanyl-1-[(3R)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl]ethanone
CID 124618956
3-methyl-1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256100
N-[3-(spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carbonyl)phenyl]propanamide
CID 126795764
N-[1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46471453
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86903665
N-[1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 102934059
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-yl-[1-(4-thiophen-3-ylphenyl)cyclopropyl]methanone
CID 68861124

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide (CID 127897418) is N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)N1CCC2(C1)OCc1ccccc12.
What is the InChIKey of N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is AXUMHYCHQJFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13(20-17(22)16-7-4-10-25-16)18(23)21-9-8-19(12-21)15-6-3-2-5-14(15)11-24-19/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide?
N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-ylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 127897418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).