2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide

C31H33N3O6S2 — CID 21372381

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H33N3O6S2/c1-4-33(5-2)41(36,37)27-19-15-25(16-20-27)32-31(35)29-13-9-10-14-30(29)34(23-24-11-7-6-8-12-24)42(38,39)28-21-17-26(40-3)18-22-28/h6-22H,4-5,23H2,1-3H3,(H,32,35)
InChIKeyMBNYSWBZPDIQMG-UHFFFAOYSA-N
MW607.75 g/mol
LogP5.37
Rot. Bonds12

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide (PubChem CID 21372381) has the molecular formula C31H33N3O6S2 and a molecular weight of 607.75 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
PubChem CID21372381
Molecular FormulaC31H33N3O6S2
Molecular Weight607.75 g/mol
Exact Mass607.18
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H33N3O6S2/c1-4-33(5-2)41(36,37)27-19-15-25(16-20-27)32-31(35)29-13-9-10-14-30(29)34(23-24-11-7-6-8-12-24)42(38,39)28-21-17-26(40-3)18-22-28/h6-22H,4-5,23H2,1-3H3,(H,32,35)
InChIKeyMBNYSWBZPDIQMG-UHFFFAOYSA-N
XLogP5.37
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.75
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1284888
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 2262005
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 2194165
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43881457
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(1-phenylpropyl)benzamide
CID 43876399
methyl 3-[[2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4-methylbenzoate
CID 43880657
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-phenylpropyl)benzamide
CID 133185362
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)benzamide
CID 17312901
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 43878959
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 99644735

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide (CID 21372381) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The InChIKey is MBNYSWBZPDIQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O6S2/c1-4-33(5-2)41(36,37)27-19-15-25(16-20-27)32-31(35)29-13-9-10-14-30(29)34(23-24-11-7-6-8-12-24)42(38,39)28-21-17-26(40-3)18-22-28/h6-22H,4-5,23H2,1-3H3,(H,32,35).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide has a molecular weight of 607.75 g/mol, XLogP of 5.37, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 21372381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).