3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide

C40H34N4O8S2 — CID 121043305

IUPAC3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(-c4ccc(NC(=O)c5cccc(NS(=O)(=O)c6ccc(OC)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C40H34N4O8S2/c1-51-35-17-21-37(22-18-35)53(47,48)43-33-7-3-5-29(25-33)39(45)41-31-13-9-27(10-14-31)28-11-15-32(16-12-28)42-40(46)30-6-4-8-34(26-30)44-54(49,50)38-23-19-36(52-2)20-24-38/h3-26,43-44H,1-2H3,(H,41,45)(H,42,46)
InChIKeyZQLRUQMNYBQJFK-UHFFFAOYSA-N
MW762.87 g/mol
LogP7.48
Rot. Bonds13

About 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide

3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide (PubChem CID 121043305) has the molecular formula C40H34N4O8S2 and a molecular weight of 762.87 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
PubChem CID121043305
Molecular FormulaC40H34N4O8S2
Molecular Weight762.87 g/mol
Exact Mass762.18
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(-c4ccc(NC(=O)c5cccc(NS(=O)(=O)c6ccc(OC)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C40H34N4O8S2/c1-51-35-17-21-37(22-18-35)53(47,48)43-33-7-3-5-29(25-33)39(45)41-31-13-9-27(10-14-31)28-11-15-32(16-12-28)42-40(46)30-6-4-8-34(26-30)44-54(49,50)38-23-19-36(52-2)20-24-38/h3-26,43-44H,1-2H3,(H,41,45)(H,42,46)
InChIKeyZQLRUQMNYBQJFK-UHFFFAOYSA-N
XLogP7.48
TPSA169.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.87
LogP ≤ 57.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide with MolForge

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Related Compounds

methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 17175147
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 158643553
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide (CID 121043305) is 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(-c4ccc(NC(=O)c5cccc(NS(=O)(=O)c6ccc(OC)cc6)c5)cc4)cc3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide?
The InChIKey is ZQLRUQMNYBQJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4O8S2/c1-51-35-17-21-37(22-18-35)53(47,48)43-33-7-3-5-29(25-33)39(45)41-31-13-9-27(10-14-31)28-11-15-32(16-12-28)42-40(46)30-6-4-8-34(26-30)44-54(49,50)38-23-19-36(52-2)20-24-38/h3-26,43-44H,1-2H3,(H,41,45)(H,42,46).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide?
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide has a molecular weight of 762.87 g/mol, XLogP of 7.48, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide is sourced from PubChem (CID 121043305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).