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

C25H27F2N3O4S — CID 162204239

IUPACN-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(NS(=O)(=O)c3ccc(F)cc3F)cc3c2CC(=O)C32CCC2)CC1
InChIInChI=1S/C25H27F2N3O4S/c1-30-9-5-15(6-10-30)24(32)28-21-13-17(12-19-18(21)14-23(31)25(19)7-2-8-25)29-35(33,34)22-4-3-16(26)11-20(22)27/h3-4,11-13,15,29H,2,5-10,14H2,1H3,(H,28,32)
InChIKeyZDALWCLEQOXDBO-UHFFFAOYSA-N
MW503.57 g/mol
LogP3.59
Rot. Bonds5

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

N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 162204239) has the molecular formula C25H27F2N3O4S and a molecular weight of 503.57 g/mol. Its IUPAC name is N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide
PubChem CID162204239
Molecular FormulaC25H27F2N3O4S
Molecular Weight503.57 g/mol
Exact Mass503.17
IUPAC NameN-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(NS(=O)(=O)c3ccc(F)cc3F)cc3c2CC(=O)C32CCC2)CC1
InChIInChI=1S/C25H27F2N3O4S/c1-30-9-5-15(6-10-30)24(32)28-21-13-17(12-19-18(21)14-23(31)25(19)7-2-8-25)29-35(33,34)22-4-3-16(26)11-20(22)27/h3-4,11-13,15,29H,2,5-10,14H2,1H3,(H,28,32)
InChIKeyZDALWCLEQOXDBO-UHFFFAOYSA-N
XLogP3.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine
CID 157223122
N-(7-bromo-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[7-(3-hydroxyphenyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;(3-hydroxyphenyl)boronic acid
CID 157212324
2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 118169107
5'-[(2,4-difluorophenyl)sulfonylamino]-2'-oxospiro[cyclopentane-1,3'-indole]-1'-carboxamide
CID 135123408
2,4-difluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]benzenesulfonamide
CID 166200999
4-chloro-2-fluoro-N-[7-[(5-fluoro-2-pyridinyl)methoxy]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 161126175
2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide
CID 158773527
2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 135184782
N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide
CID 160623115
5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide
CID 135184800
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
N-[5-[(2,4-difluorophenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 134017686

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide (CID 162204239) is N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(NS(=O)(=O)c3ccc(F)cc3F)cc3c2CC(=O)C32CCC2)CC1.
What is the InChIKey of N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is ZDALWCLEQOXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4S/c1-30-9-5-15(6-10-30)24(32)28-21-13-17(12-19-18(21)14-23(31)25(19)7-2-8-25)29-35(33,34)22-4-3-16(26)11-20(22)27/h3-4,11-13,15,29H,2,5-10,14H2,1H3,(H,28,32).
What are the key properties of N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide?
N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 503.57 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 162204239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).