2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide

C26H32N2O5S — CID 148996778

IUPAC2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(OC2CCCN(C)CC2)c2c(c1)C1(CCC1)C(=O)C2
InChIInChI=1S/C26H32N2O5S/c1-28-13-5-7-19(10-14-28)33-23-16-18(15-21-20(23)17-25(29)26(21)11-6-12-26)27-34(30,31)24-9-4-3-8-22(24)32-2/h3-4,8-9,15-16,19,27H,5-7,10-14,17H2,1-2H3
InChIKeyPYVMOWFMVFMLRI-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.91
Rot. Bonds6

About 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide

2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide (PubChem CID 148996778) has the molecular formula C26H32N2O5S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
PubChem CID148996778
Molecular FormulaC26H32N2O5S
Molecular Weight484.62 g/mol
Exact Mass484.20
IUPAC Name2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(OC2CCCN(C)CC2)c2c(c1)C1(CCC1)C(=O)C2
InChIInChI=1S/C26H32N2O5S/c1-28-13-5-7-19(10-14-28)33-23-16-18(15-21-20(23)17-25(29)26(21)11-6-12-26)27-34(30,31)24-9-4-3-8-22(24)32-2/h3-4,8-9,15-16,19,27H,5-7,10-14,17H2,1-2H3
InChIKeyPYVMOWFMVFMLRI-UHFFFAOYSA-N
XLogP3.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 147851269
N-[7'-(1-acetylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclobutane-1,3'-indole]-5'-yl]-2-methoxybenzenesulfonamide;N-[7-(1-acetylpiperidin-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide;2-methoxy-N-[1'-[(4-methoxyphenyl)methyl]-2'-oxo-7'-piperidin-4-yloxyspiro[cyclobutane-1,3'-indole]-5'-yl]benzenesulfonamide
CID 159847260
2-methoxy-N-[2-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 160772668
N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]-2-propan-2-yloxybenzenesulfonamide
CID 135123457
2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 160873258
2-methoxy-N-[7-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide
CID 135136273
N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide
CID 160623115
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'-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclobutane-1,3'-indole]-5'-yl]-2-methoxybenzenesulfonamide
CID 140882894
N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide
CID 162204239
N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide
CID 135184783
2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
CID 71271629

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide (CID 148996778) is 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc(OC2CCCN(C)CC2)c2c(c1)C1(CCC1)C(=O)C2.
What is the InChIKey of 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The InChIKey is PYVMOWFMVFMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5S/c1-28-13-5-7-19(10-14-28)33-23-16-18(15-21-20(23)17-25(29)26(21)11-6-12-26)27-34(30,31)24-9-4-3-8-22(24)32-2/h3-4,8-9,15-16,19,27H,5-7,10-14,17H2,1-2H3.
What are the key properties of 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide has a molecular weight of 484.62 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide is sourced from PubChem (CID 148996778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).