6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide

C25H28FN3O4S — CID 149201039

IUPAC6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(NS(=O)(=O)c3ccccc3F)cc3c2CC(=O)C32CCC2)CC1
InChIInChI=1S/C25H28FN3O4S/c1-29-11-7-16(8-12-29)27-24(31)19-13-17(28-34(32,33)22-6-3-2-5-21(22)26)14-20-18(19)15-23(30)25(20)9-4-10-25/h2-3,5-6,13-14,16,28H,4,7-12,15H2,1H3,(H,27,31)
InChIKeyXERTXGIVCORZOT-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.00
Rot. Bonds5

About 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide

6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide (PubChem CID 149201039) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide
PubChem CID149201039
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC Name6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(NS(=O)(=O)c3ccccc3F)cc3c2CC(=O)C32CCC2)CC1
InChIInChI=1S/C25H28FN3O4S/c1-29-11-7-16(8-12-29)27-24(31)19-13-17(28-34(32,33)22-6-3-2-5-21(22)26)14-20-18(19)15-23(30)25(20)9-4-10-25/h2-3,5-6,13-14,16,28H,4,7-12,15H2,1H3,(H,27,31)
InChIKeyXERTXGIVCORZOT-UHFFFAOYSA-N
XLogP3.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide (CID 149201039) is 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide is CN1CCC(NC(=O)c2cc(NS(=O)(=O)c3ccccc3F)cc3c2CC(=O)C32CCC2)CC1.
What is the InChIKey of 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide?
The InChIKey is XERTXGIVCORZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-29-11-7-16(8-12-29)27-24(31)19-13-17(28-34(32,33)22-6-3-2-5-21(22)26)14-20-18(19)15-23(30)25(20)9-4-10-25/h2-3,5-6,13-14,16,28H,4,7-12,15H2,1H3,(H,27,31).
What are the key properties of 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide?
6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxamide is sourced from PubChem (CID 149201039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).