[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate

C23H22N2O6S — CID 46641233

IUPAC[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate
SMILESO=C(COC(=O)c1occc1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H22N2O6S/c26-21(16-31-23(27)22-20(11-14-30-22)17-7-2-1-3-8-17)24-18-9-6-10-19(15-18)32(28,29)25-12-4-5-13-25/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,24,26)
InChIKeyBHJRSQMIZFSSMJ-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.53
Rot. Bonds7

About [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate (PubChem CID 46641233) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate
PubChem CID46641233
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Name[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate
SMILESO=C(COC(=O)c1occc1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H22N2O6S/c26-21(16-31-23(27)22-20(11-14-30-22)17-7-2-1-3-8-17)24-18-9-6-10-19(15-18)32(28,29)25-12-4-5-13-25/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,24,26)
InChIKeyBHJRSQMIZFSSMJ-UHFFFAOYSA-N
XLogP3.53
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 2545206
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,5-dichlorobenzoate
CID 16523259
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylpropanoate
CID 7654688
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 5051703
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate
CID 71904864
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-nitrobenzoate
CID 71904990
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclopentylacetate
CID 7722486
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519680
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
CID 35776383

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate (CID 46641233) is [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate is O=C(COC(=O)c1occc1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate?
The InChIKey is BHJRSQMIZFSSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c26-21(16-31-23(27)22-20(11-14-30-22)17-7-2-1-3-8-17)24-18-9-6-10-19(15-18)32(28,29)25-12-4-5-13-25/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,24,26).
What are the key properties of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate?
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate has a molecular weight of 454.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 46641233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).