formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide

C56H59N5O12S2 — CID 90717897

About formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide

formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide (PubChem CID 90717897) has the molecular formula C56H59N5O12S2 and a molecular weight of 1058.24 g/mol. Its IUPAC name is formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide
• PubChem CID: 90717897
• Molecular Formula: C56H59N5O12S2
• Molecular Weight: 1058.24 g/mol
• Exact Mass: 1057.36
• IUPAC Name: formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide
• SMILES: C=O.COc1ccc(Oc2cc(NC(=O)c3ccc(C)cc3)c(O)cc2NC(C)S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(S(=O)(=O)C(Nc2ccc(NC(=O)c3ccc(C(N)=O)cc3)c(O)c2)C(C)C)c1
• InChI: InChI=1S/C30H30N2O6S.C25H27N3O5S.CH2O/c1-19-5-9-22(10-6-19)30(34)32-26-18-29(38-24-13-11-23(37-4)12-14-24)27(17-28(26)33)31-21(3)39(35,36)25-15-7-20(2)8-16-25;1-15(2)25(34(32,33)20-6-4-5-16(3)13-20)27-19-11-12-21(22(29)14-19)28-24(31)18-9-7-17(8-10-18)23(26)30;1-2/h5-18,21,31,33H,1-4H3,(H,32,34);4-15,25,27,29H,1-3H3,(H2,26,30)(H,28,31);1H2
• InChIKey: NQBNALGFSIPFSM-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 269.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1058.24
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide?

The IUPAC name of formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide (CID 90717897) is formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide.

What is the SMILES notation for formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide?

The canonical SMILES for formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide is C=O.COc1ccc(Oc2cc(NC(=O)c3ccc(C)cc3)c(O)cc2NC(C)S(=O)(=O)c2ccc(C)cc2)cc1.Cc1cccc(S(=O)(=O)C(Nc2ccc(NC(=O)c3ccc(C(N)=O)cc3)c(O)c2)C(C)C)c1.

What is the InChIKey of formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide?

The InChIKey is NQBNALGFSIPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O6S.C25H27N3O5S.CH2O/c1-19-5-9-22(10-6-19)30(34)32-26-18-29(38-24-13-11-23(37-4)12-14-24)27(17-28(26)33)31-21(3)39(35,36)25-15-7-20(2)8-16-25;1-15(2)25(34(32,33)20-6-4-5-16(3)13-20)27-19-11-12-21(22(29)14-19)28-24(31)18-9-7-17(8-10-18)23(26)30;1-2/h5-18,21,31,33H,1-4H3,(H,32,34);4-15,25,27,29H,1-3H3,(H2,26,30)(H,28,31);1H2.

What are the key properties of formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide?

formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide has a molecular weight of 1058.24 g/mol, XLogP of 10.03, 17 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[1-(4-methylphenyl)sulfonylethylamino]phenyl]-4-methylbenzamide;4-N-[2-hydroxy-4-[[2-methyl-1-(3-methylphenyl)sulfonylpropyl]amino]phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 90717897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).