2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide

C24H28N2O5S — CID 147851269

IUPAC2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(OC2CCNCC2)c2c(c1)C1(CCC1)C(=O)C2
InChIInChI=1S/C24H28N2O5S/c1-30-20-5-2-3-6-22(20)32(28,29)26-16-13-19-18(15-23(27)24(19)9-4-10-24)21(14-16)31-17-7-11-25-12-8-17/h2-3,5-6,13-14,17,25-26H,4,7-12,15H2,1H3
InChIKeyHUWFDRUCJBMWBC-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.17
Rot. Bonds6

About 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide

2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide (PubChem CID 147851269) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
PubChem CID147851269
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(OC2CCNCC2)c2c(c1)C1(CCC1)C(=O)C2
InChIInChI=1S/C24H28N2O5S/c1-30-20-5-2-3-6-22(20)32(28,29)26-16-13-19-18(15-23(27)24(19)9-4-10-24)21(14-16)31-17-7-11-25-12-8-17/h2-3,5-6,13-14,17,25-26H,4,7-12,15H2,1H3
InChIKeyHUWFDRUCJBMWBC-UHFFFAOYSA-N
XLogP3.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide (CID 147851269) is 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc(OC2CCNCC2)c2c(c1)C1(CCC1)C(=O)C2.
What is the InChIKey of 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The InChIKey is HUWFDRUCJBMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-30-20-5-2-3-6-22(20)32(28,29)26-16-13-19-18(15-23(27)24(19)9-4-10-24)21(14-16)31-17-7-11-25-12-8-17/h2-3,5-6,13-14,17,25-26H,4,7-12,15H2,1H3.
What are the key properties of 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide has a molecular weight of 456.56 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide is sourced from PubChem (CID 147851269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).