N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C25H28N2O5S — CID 51343967

IUPACN-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-17-6-11-22(12-7-17)33(29,30)27(21-10-8-18(2)19(3)14-21)16-25(28)26-20-9-13-23(31-4)24(15-20)32-5/h6-15H,16H2,1-5H3,(H,26,28)
InChIKeyNPCAPENYKODQFB-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.46
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 51343967) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID51343967
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-17-6-11-22(12-7-17)33(29,30)27(21-10-8-18(2)19(3)14-21)16-25(28)26-20-9-13-23(31-4)24(15-20)32-5/h6-15H,16H2,1-5H3,(H,26,28)
InChIKeyNPCAPENYKODQFB-UHFFFAOYSA-N
XLogP4.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298
N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343969
methyl 2-chloro-5-[[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 21371829
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43893843
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
CID 51345395
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1363486
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1000004
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 53280565
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881347
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43916184

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 51343967) is N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is NPCAPENYKODQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17-6-11-22(12-7-17)33(29,30)27(21-10-8-18(2)19(3)14-21)16-25(28)26-20-9-13-23(31-4)24(15-20)32-5/h6-15H,16H2,1-5H3,(H,26,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 51343967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).