2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide

C23H26N2O5S — CID 90586119

IUPAC2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1
InChIInChI=1S/C23H26N2O5S/c1-15-8-9-16(2)21(12-15)31(28,29)24-17(3)22(27)25-11-10-23(14-25)13-19(26)18-6-4-5-7-20(18)30-23/h4-9,12,17,24H,10-11,13-14H2,1-3H3
InChIKeyOWWFSLJAVPCSNU-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.61
Rot. Bonds4

About 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide

2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide (PubChem CID 90586119) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide
PubChem CID90586119
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1
InChIInChI=1S/C23H26N2O5S/c1-15-8-9-16(2)21(12-15)31(28,29)24-17(3)22(27)25-11-10-23(14-25)13-19(26)18-6-4-5-7-20(18)30-23/h4-9,12,17,24H,10-11,13-14H2,1-3H3
InChIKeyOWWFSLJAVPCSNU-UHFFFAOYSA-N
XLogP2.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586073
N-(3-methylphenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586070
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586128
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
tert-butyl (2S)-6-methyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451955
(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97274102
3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586133
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586068
1'-(2,3,4,5,6-pentamethylphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586051

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide (CID 90586119) is 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC(C)C(=O)N2CCC3(CC(=O)c4ccccc4O3)C2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is OWWFSLJAVPCSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-15-8-9-16(2)21(12-15)31(28,29)24-17(3)22(27)25-11-10-23(14-25)13-19(26)18-6-4-5-7-20(18)30-23/h4-9,12,17,24H,10-11,13-14H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide?
2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-oxo-1-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 90586119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).