1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C20H21NO5S — CID 90586016

IUPAC1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCCOc1ccccc1S(=O)(=O)N1CCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C20H21NO5S/c1-2-25-18-9-5-6-10-19(18)27(23,24)21-12-11-20(14-21)13-16(22)15-7-3-4-8-17(15)26-20/h3-10H,2,11-14H2,1H3
InChIKeyPPBNQCJJWOAQAK-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.88
Rot. Bonds4

About 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90586016) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90586016
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCCOc1ccccc1S(=O)(=O)N1CCC2(CC(=O)c3ccccc3O2)C1
InChIInChI=1S/C20H21NO5S/c1-2-25-18-9-5-6-10-19(18)27(23,24)21-12-11-20(14-21)13-16(22)15-7-3-4-8-17(15)26-20/h3-10H,2,11-14H2,1H3
InChIKeyPPBNQCJJWOAQAK-UHFFFAOYSA-N
XLogP2.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2,3,4,5,6-pentamethylphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586051
1'-naphthalen-2-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586030
(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97355023
1'-[4-(3-methylphenoxy)phenyl]sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586336
(2S)-1'-(3-chloro-4-fluorophenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97355035
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 154462590
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
1'-butylsulfonyl-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108783858
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108781880
6-tert-butyl-1'-ethylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759436

Frequently Asked Questions

What is the IUPAC name of 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90586016) is 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is CCOc1ccccc1S(=O)(=O)N1CCC2(CC(=O)c3ccccc3O2)C1.
What is the InChIKey of 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is PPBNQCJJWOAQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-2-25-18-9-5-6-10-19(18)27(23,24)21-12-11-20(14-21)13-16(22)15-7-3-4-8-17(15)26-20/h3-10H,2,11-14H2,1H3.
What are the key properties of 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 387.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90586016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).