1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C23H24N2O5S — CID 72719196

IUPAC1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H24N2O5S/c26-21(17-7-9-18(10-8-17)31(28,29)25-13-3-4-14-25)24-15-11-23(12-16-24)20-6-2-1-5-19(20)22(27)30-23/h1-2,5-10H,3-4,11-16H2
InChIKeyGOMNXNASYNJMIX-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.77
Rot. Bonds3

About 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 72719196) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID72719196
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H24N2O5S/c26-21(17-7-9-18(10-8-17)31(28,29)25-13-3-4-14-25)24-15-11-23(12-16-24)20-6-2-1-5-19(20)22(27)30-23/h1-2,5-10H,3-4,11-16H2
InChIKeyGOMNXNASYNJMIX-UHFFFAOYSA-N
XLogP2.77
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
4-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90618069
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
[4-(2-hydroxybenzoyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 55646192
1'-(3-methoxy-2-methylindazole-6-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618189
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618264
1'-[(2-oxo-3H-1,3-benzoxazol-5-yl)sulfonyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618417
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
(4-benzhydrylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1033393

Frequently Asked Questions

What is the IUPAC name of 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 72719196) is 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is GOMNXNASYNJMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c26-21(17-7-9-18(10-8-17)31(28,29)25-13-3-4-14-25)24-15-11-23(12-16-24)20-6-2-1-5-19(20)22(27)30-23/h1-2,5-10H,3-4,11-16H2.
What are the key properties of 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 440.52 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 72719196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).