N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C25H27N3O5S — CID 55868533

IUPACN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)c2)cc1
InChIInChI=1S/C25H27N3O5S/c1-17-5-14-22(34(31,32)27-20-10-12-21(33-4)13-11-20)16-23(17)25(30)26-19-8-6-18(7-9-19)15-24(29)28(2)3/h5-14,16,27H,15H2,1-4H3,(H,26,30)
InChIKeyHIUKCJVLYNVMEQ-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.69
Rot. Bonds8

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55868533) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55868533
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)c2)cc1
InChIInChI=1S/C25H27N3O5S/c1-17-5-14-22(34(31,32)27-20-10-12-21(33-4)13-11-20)16-23(17)25(30)26-19-8-6-18(7-9-19)15-24(29)28(2)3/h5-14,16,27H,15H2,1-4H3,(H,26,30)
InChIKeyHIUKCJVLYNVMEQ-UHFFFAOYSA-N
XLogP3.69
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657800
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 55868533) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)c2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is HIUKCJVLYNVMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-17-5-14-22(34(31,32)27-20-10-12-21(33-4)13-11-20)16-23(17)25(30)26-19-8-6-18(7-9-19)15-24(29)28(2)3/h5-14,16,27H,15H2,1-4H3,(H,26,30).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 481.57 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55868533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).