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

C80H84N8O19S4 — CID 158647332

IUPAC2-(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
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1.COc1ccc(-c2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)ccc4C3)cc2)cc1.O=C1Cc2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)ccc4C3)cc2O1
InChIInChI=1S/C23H22N2O5S.C20H24N2O4S.C19H22N2O4S.C18H16N2O6S/c1-30-21-8-4-16(5-9-21)17-6-10-22(11-7-17)31(28,29)25-13-12-18-14-19(23(26)24-27)2-3-20(18)15-25;1-20(2,3)17-6-8-18(9-7-17)27(25,26)22-11-10-14-12-15(19(23)21-24)4-5-16(14)13-22;1-13(2)14-5-7-18(8-6-14)26(24,25)21-10-9-15-11-16(19(22)20-23)3-4-17(15)12-21;21-17-8-12-3-4-15(9-16(12)26-17)27(24,25)20-6-5-11-7-13(18(22)19-23)1-2-14(11)10-20/h2-11,14,27H,12-13,15H2,1H3,(H,24,26);4-9,12,24H,10-11,13H2,1-3H3,(H,21,23);3-8,11,13,23H,9-10,12H2,1-2H3,(H,20,22);1-4,7,9,23H,5-6,8,10H2,(H,19,22)
InChIKeyIBCYCMCMKVEGDQ-UHFFFAOYSA-N
MW1589.86 g/mol
LogP9.77
Rot. Bonds15

About 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

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 (PubChem CID 158647332) has the molecular formula C80H84N8O19S4 and a molecular weight of 1589.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158647332
Molecular FormulaC80H84N8O19S4
Molecular Weight1589.86 g/mol
Exact Mass1588.47
IUPAC Name2-(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
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1.COc1ccc(-c2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)ccc4C3)cc2)cc1.O=C1Cc2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)ccc4C3)cc2O1
InChIInChI=1S/C23H22N2O5S.C20H24N2O4S.C19H22N2O4S.C18H16N2O6S/c1-30-21-8-4-16(5-9-21)17-6-10-22(11-7-17)31(28,29)25-13-12-18-14-19(23(26)24-27)2-3-20(18)15-25;1-20(2,3)17-6-8-18(9-7-17)27(25,26)22-11-10-14-12-15(19(23)21-24)4-5-16(14)13-22;1-13(2)14-5-7-18(8-6-14)26(24,25)21-10-9-15-11-16(19(22)20-23)3-4-17(15)12-21;21-17-8-12-3-4-15(9-16(12)26-17)27(24,25)20-6-5-11-7-13(18(22)19-23)1-2-14(11)10-20/h2-11,14,27H,12-13,15H2,1H3,(H,24,26);4-9,12,24H,10-11,13H2,1-3H3,(H,21,23);3-8,11,13,23H,9-10,12H2,1-2H3,(H,20,22);1-4,7,9,23H,5-6,8,10H2,(H,19,22)
InChIKeyIBCYCMCMKVEGDQ-UHFFFAOYSA-N
XLogP9.77
TPSA382.37 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.86
LogP ≤ 59.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147138
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 122438127
N-[2-[tert-butyl-[(3-methoxyphenyl)methyl]amino]ethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 121373729
1-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]ethanone
CID 110726151
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 23958771
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzamide
CID 16930505
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 4067266
3-[3-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 87220054
2-(4-tert-butylphenyl)sulfonyl-1,3-dihydroisoindole-5-carboxamide
CID 91106615
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzamide
CID 16930540
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
N-[2-[tert-butyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole-5-carboxamide
CID 121373726

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)NO)ccc3C2)cc1.COc1ccc(-c2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)ccc4C3)cc2)cc1.O=C1Cc2ccc(S(=O)(=O)N3CCc4cc(C(=O)NO)ccc4C3)cc2O1.
What is the InChIKey of 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?
The InChIKey is IBCYCMCMKVEGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S.C20H24N2O4S.C19H22N2O4S.C18H16N2O6S/c1-30-21-8-4-16(5-9-21)17-6-10-22(11-7-17)31(28,29)25-13-12-18-14-19(23(26)24-27)2-3-20(18)15-25;1-20(2,3)17-6-8-18(9-7-17)27(25,26)22-11-10-14-12-15(19(23)21-24)4-5-16(14)13-22;1-13(2)14-5-7-18(8-6-14)26(24,25)21-10-9-15-11-16(19(22)20-23)3-4-17(15)12-21;21-17-8-12-3-4-15(9-16(12)26-17)27(24,25)20-6-5-11-7-13(18(22)19-23)1-2-14(11)10-20/h2-11,14,27H,12-13,15H2,1H3,(H,24,26);4-9,12,24H,10-11,13H2,1-3H3,(H,21,23);3-8,11,13,23H,9-10,12H2,1-2H3,(H,20,22);1-4,7,9,23H,5-6,8,10H2,(H,19,22).
What are the key properties of 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?
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 has a molecular weight of 1589.86 g/mol, XLogP of 9.77, 15 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158647332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).