2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide

C26H26N2O4S — CID 160873258

IUPAC2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(C(C)c2ccccn2)c2c(c1)C1(CCC1)C(=O)C2
InChIInChI=1S/C26H26N2O4S/c1-17(22-8-5-6-13-27-22)19-14-18(15-21-20(19)16-25(29)26(21)11-7-12-26)28-33(30,31)24-10-4-3-9-23(24)32-2/h3-6,8-10,13-15,17,28H,7,11-12,16H2,1-2H3
InChIKeyNDTXMSLRWBNECJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.59
Rot. Bonds6

About 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide

2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide (PubChem CID 160873258) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
PubChem CID160873258
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(C(C)c2ccccn2)c2c(c1)C1(CCC1)C(=O)C2
InChIInChI=1S/C26H26N2O4S/c1-17(22-8-5-6-13-27-22)19-14-18(15-21-20(19)16-25(29)26(21)11-7-12-26)28-33(30,31)24-10-4-3-9-23(24)32-2/h3-6,8-10,13-15,17,28H,7,11-12,16H2,1-2H3
InChIKeyNDTXMSLRWBNECJ-UHFFFAOYSA-N
XLogP4.59
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide 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-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
2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 147851269
2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 148996778
N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide
CID 160623115
N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide
CID 135184783
N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
CID 75448368
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-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
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
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524291
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide (CID 160873258) is 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc(C(C)c2ccccn2)c2c(c1)C1(CCC1)C(=O)C2.
What is the InChIKey of 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The InChIKey is NDTXMSLRWBNECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-17(22-8-5-6-13-27-22)19-14-18(15-21-20(19)16-25(29)26(21)11-7-12-26)28-33(30,31)24-10-4-3-9-23(24)32-2/h3-6,8-10,13-15,17,28H,7,11-12,16H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide has a molecular weight of 462.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide is sourced from PubChem (CID 160873258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).