N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide

C54H54N6O14S3 — CID 159137672

IUPACN,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12.Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)NO)c3c2)c(C)c1.Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)NO)c3c2)cc1
InChIInChI=1S/C19H20N2O5S.C18H18N2O4S.C17H16N2O5S/c1-10-7-11(2)18(12(3)8-10)27(24,25)21-14-5-6-16-15(9-14)17(13(4)26-16)19(22)20-23;1-11-4-7-14(8-5-11)25(22,23)20-13-6-9-16-15(10-13)17(12(2)24-16)18(21)19-3;1-10-3-6-13(7-4-10)25(22,23)19-12-5-8-15-14(9-12)16(11(2)24-15)17(20)18-21/h5-9,21,23H,1-4H3,(H,20,22);4-10,20H,1-3H3,(H,19,21);3-9,19,21H,1-2H3,(H,18,20)
InChIKeyKHRYDOYSPHMOPM-UHFFFAOYSA-N
MW1107.25 g/mol
LogP9.77
Rot. Bonds12

About N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide

N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide (PubChem CID 159137672) has the molecular formula C54H54N6O14S3 and a molecular weight of 1107.25 g/mol. Its IUPAC name is N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide
PubChem CID159137672
Molecular FormulaC54H54N6O14S3
Molecular Weight1107.25 g/mol
Exact Mass1106.29
IUPAC NameN,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12.Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)NO)c3c2)c(C)c1.Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)NO)c3c2)cc1
InChIInChI=1S/C19H20N2O5S.C18H18N2O4S.C17H16N2O5S/c1-10-7-11(2)18(12(3)8-10)27(24,25)21-14-5-6-16-15(9-14)17(13(4)26-16)19(22)20-23;1-11-4-7-14(8-5-11)25(22,23)20-13-6-9-16-15(10-13)17(12(2)24-16)18(21)19-3;1-10-3-6-13(7-4-10)25(22,23)19-12-5-8-15-14(9-12)16(11(2)24-15)17(20)18-21/h5-9,21,23H,1-4H3,(H,20,22);4-10,20H,1-3H3,(H,19,21);3-9,19,21H,1-2H3,(H,18,20)
InChIKeyKHRYDOYSPHMOPM-UHFFFAOYSA-N
XLogP9.77
TPSA305.69 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001107.25
LogP ≤ 59.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
CID 159173553
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1098492
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25037862
methyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 2938246
propyl 5-[(4-fluorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 25039522
methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 1304159
propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
CID 25043109
butyl 5-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 5061732
5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7728362
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide?
The IUPAC name of N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide (CID 159137672) is N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide?
The canonical SMILES for N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12.Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)NO)c3c2)c(C)c1.Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)NO)c3c2)cc1.
What is the InChIKey of N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide?
The InChIKey is KHRYDOYSPHMOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S.C18H18N2O4S.C17H16N2O5S/c1-10-7-11(2)18(12(3)8-10)27(24,25)21-14-5-6-16-15(9-14)17(13(4)26-16)19(22)20-23;1-11-4-7-14(8-5-11)25(22,23)20-13-6-9-16-15(10-13)17(12(2)24-16)18(21)19-3;1-10-3-6-13(7-4-10)25(22,23)19-12-5-8-15-14(9-12)16(11(2)24-15)17(20)18-21/h5-9,21,23H,1-4H3,(H,20,22);4-10,20H,1-3H3,(H,19,21);3-9,19,21H,1-2H3,(H,18,20).
What are the key properties of N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide?
N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide has a molecular weight of 1107.25 g/mol, XLogP of 9.77, 12 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide;N-hydroxy-2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 159137672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).