N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C25H29N3O6S2 — CID 2227381

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H29N3O6S2/c1-5-28(6-2)36(32,33)24-15-9-20(10-16-24)26-25(29)19-7-11-21(12-8-19)27(3)35(30,31)23-17-13-22(34-4)14-18-23/h7-18H,5-6H2,1-4H3,(H,26,29)
InChIKeyNGNYLMGVDUEABP-UHFFFAOYSA-N
MW531.66 g/mol
LogP3.80
Rot. Bonds10

About N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 2227381) has the molecular formula C25H29N3O6S2 and a molecular weight of 531.66 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID2227381
Molecular FormulaC25H29N3O6S2
Molecular Weight531.66 g/mol
Exact Mass531.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C25H29N3O6S2/c1-5-28(6-2)36(32,33)24-15-9-20(10-16-24)26-25(29)19-7-11-21(12-8-19)27(3)35(30,31)23-17-13-22(34-4)14-18-23/h7-18H,5-6H2,1-4H3,(H,26,29)
InChIKeyNGNYLMGVDUEABP-UHFFFAOYSA-N
XLogP3.80
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.66
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)benzamide
CID 1289268
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
N-(4-bromo-3-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1252221
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[4-(2-adamantyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126414664
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
CID 1242126

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 2227381) is N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is NGNYLMGVDUEABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S2/c1-5-28(6-2)36(32,33)24-15-9-20(10-16-24)26-25(29)19-7-11-21(12-8-19)27(3)35(30,31)23-17-13-22(34-4)14-18-23/h7-18H,5-6H2,1-4H3,(H,26,29).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 531.66 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 2227381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).