1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide

C29H27N3O4S — CID 155460838

IUPAC1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C)c3)cc(S(=O)(=O)Nc3cccc(C)c3)c2)c1
InChIInChI=1S/C29H27N3O4S/c1-19-7-4-10-24(13-19)30-28(33)22-16-23(29(34)31-25-11-5-8-20(2)14-25)18-27(17-22)37(35,36)32-26-12-6-9-21(3)15-26/h4-18,32H,1-3H3,(H,30,33)(H,31,34)
InChIKeyGMXGEZFTPFMWIB-UHFFFAOYSA-N
MW513.62 g/mol
LogP5.92
Rot. Bonds7

About 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide

1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide (PubChem CID 155460838) has the molecular formula C29H27N3O4S and a molecular weight of 513.62 g/mol. Its IUPAC name is 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide
PubChem CID155460838
Molecular FormulaC29H27N3O4S
Molecular Weight513.62 g/mol
Exact Mass513.17
IUPAC Name1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C)c3)cc(S(=O)(=O)Nc3cccc(C)c3)c2)c1
InChIInChI=1S/C29H27N3O4S/c1-19-7-4-10-24(13-19)30-28(33)22-16-23(29(34)31-25-11-5-8-20(2)14-25)18-27(17-22)37(35,36)32-26-12-6-9-21(3)15-26/h4-18,32H,1-3H3,(H,30,33)(H,31,34)
InChIKeyGMXGEZFTPFMWIB-UHFFFAOYSA-N
XLogP5.92
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide (CID 155460838) is 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide is Cc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C)c3)cc(S(=O)(=O)Nc3cccc(C)c3)c2)c1.
What is the InChIKey of 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide?
The InChIKey is GMXGEZFTPFMWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4S/c1-19-7-4-10-24(13-19)30-28(33)22-16-23(29(34)31-25-11-5-8-20(2)14-25)18-27(17-22)37(35,36)32-26-12-6-9-21(3)15-26/h4-18,32H,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide?
1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide has a molecular weight of 513.62 g/mol, XLogP of 5.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 155460838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).