N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide

C25H29N3O5S2 — CID 1295864

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H29N3O5S2/c1-4-27(5-2)35(32,33)24-17-15-22(16-18-24)26-25(29)21-13-11-20(12-14-21)19-28(34(3,30)31)23-9-7-6-8-10-23/h6-18H,4-5,19H2,1-3H3,(H,26,29)
InChIKeyFFEFJHJYSWYZTR-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.94
Rot. Bonds10

About N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide

N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide (PubChem CID 1295864) has the molecular formula C25H29N3O5S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
PubChem CID1295864
Molecular FormulaC25H29N3O5S2
Molecular Weight515.66 g/mol
Exact Mass515.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H29N3O5S2/c1-4-27(5-2)35(32,33)24-17-15-22(16-18-24)26-25(29)21-13-11-20(12-14-21)19-28(34(3,30)31)23-9-7-6-8-10-23/h6-18H,4-5,19H2,1-3H3,(H,26,29)
InChIKeyFFEFJHJYSWYZTR-UHFFFAOYSA-N
XLogP3.94
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1296028
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-[(N-methylsulfonylanilino)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28589870
4-[(N-methylsulfonylanilino)methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502369
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
4-[benzyl(methylsulfonyl)amino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28589827
4-[benzyl(methylsulfonyl)amino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43880749
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
N-[4-(1-adamantyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 126031363

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide (CID 1295864) is N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is FFEFJHJYSWYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S2/c1-4-27(5-2)35(32,33)24-17-15-22(16-18-24)26-25(29)21-13-11-20(12-14-21)19-28(34(3,30)31)23-9-7-6-8-10-23/h6-18H,4-5,19H2,1-3H3,(H,26,29).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide?
N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 515.66 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 1295864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).