N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide

C26H25NO5S — CID 2059628

IUPACN-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)cc1
InChIInChI=1S/C26H25NO5S/c1-4-31-16-9-11-17(12-10-16)33(29,30)27-21-13-20-24-22(28)14-26(2,3)15-23(24)32-25(20)19-8-6-5-7-18(19)21/h5-13,27H,4,14-15H2,1-3H3
InChIKeyJRNVJDJLQRYYDI-UHFFFAOYSA-N
MW463.56 g/mol
LogP5.94
Rot. Bonds5

About N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide

N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide (PubChem CID 2059628) has the molecular formula C26H25NO5S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide
PubChem CID2059628
Molecular FormulaC26H25NO5S
Molecular Weight463.56 g/mol
Exact Mass463.15
IUPAC NameN-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)cc1
InChIInChI=1S/C26H25NO5S/c1-4-31-16-9-11-17(12-10-16)33(29,30)27-21-13-20-24-22(28)14-26(2,3)15-23(24)32-25(20)19-8-6-5-7-18(19)21/h5-13,27H,4,14-15H2,1-3H3
InChIKeyJRNVJDJLQRYYDI-UHFFFAOYSA-N
XLogP5.94
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methylbenzenesulfonamide
CID 789221
Ethyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 2486239
2-keto-N-(7-keto-9,10-dihydro-8H-naphtho[1,2-b]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide
CID 2325417
Benzyl 2-methyl-5-{[(4-methylphenyl)sulfonyl]amino}naphtho[1,2-b]furan-3-carboxylate
CID 2486113
Ethyl 5-{[(4-methoxyphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 9541625
Propyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-B]furan-3-carboxylate
CID 15991192
N-(3-Acetyl-2-methyl-naphtho[1,2-b]furan-5-yl)-4-tert-butyl-benzenesulfonamide
CID 1105988
N-(3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl)-4-bromobenzenesulfonamide
CID 1105991
N-(3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl)-4-methoxybenzenesulfonamide
CID 1183863
Methyl 5-(4-ethoxybenzenesulfonamido)-2-(methoxymethyl)naphtho[1,2-B]furan-3-carboxylate
CID 1326813
N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1332299
2-methyl-N-phenyl-5-(tosylamino)benzo[g]benzofuran-3-carboxamide
CID 2337760

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide (CID 2059628) is N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)cc1.
What is the InChIKey of N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is JRNVJDJLQRYYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5S/c1-4-31-16-9-11-17(12-10-16)33(29,30)27-21-13-20-24-22(28)14-26(2,3)15-23(24)32-25(20)19-8-6-5-7-18(19)21/h5-13,27H,4,14-15H2,1-3H3.
What are the key properties of N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide?
N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 463.56 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 2059628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).