N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide

C24H24N2O5S — CID 58147138

IUPACN-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)cc(C)c4C3)cc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-16-13-20(24(27)25-28)14-19-11-12-26(15-23(16)19)32(29,30)22-9-5-18(6-10-22)17-3-7-21(31-2)8-4-17/h3-10,13-14,28H,11-12,15H2,1-2H3,(H,25,27)
InChIKeyGLBIBLILTUPUTQ-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.54
Rot. Bonds5

About N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide

N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 58147138) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID58147138
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)cc(C)c4C3)cc2)cc1
InChIInChI=1S/C24H24N2O5S/c1-16-13-20(24(27)25-28)14-19-11-12-26(15-23(16)19)32(29,30)22-9-5-18(6-10-22)17-3-7-21(31-2)8-4-17/h3-10,13-14,28H,11-12,15H2,1-2H3,(H,25,27)
InChIKeyGLBIBLILTUPUTQ-UHFFFAOYSA-N
XLogP3.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 122438127
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxamide
CID 118437679
2-(4-tert-butylphenyl)sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-[(2-oxo-3H-1-benzofuran-6-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;N-hydroxy-2-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 158647332
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylbenzamide
CID 16930459
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzamide
CID 16930540
2-methoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930520
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 4067266
3-methoxy-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930174
6-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 134414747
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930454
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzamide
CID 16930505
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-methylbenzamide
CID 50832309

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 58147138) is N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide is COc1ccc(-c2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)cc(C)c4C3)cc2)cc1.
What is the InChIKey of N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is GLBIBLILTUPUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-16-13-20(24(27)25-28)14-19-11-12-26(15-23(16)19)32(29,30)22-9-5-18(6-10-22)17-3-7-21(31-2)8-4-17/h3-10,13-14,28H,11-12,15H2,1-2H3,(H,25,27).
What are the key properties of N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide?
N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 58147138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).