N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

C22H31N3O3S — CID 132665488

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H31N3O3S/c1-15-8-9-17(3)21(12-15)25(29(27,28)24(6)7)14-22(26)23-19(5)20-11-10-16(2)18(4)13-20/h8-13,19H,14H2,1-7H3,(H,23,26)
InChIKeyVKBIDPINMCBXFN-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.41
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (PubChem CID 132665488) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
PubChem CID132665488
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H31N3O3S/c1-15-8-9-17(3)21(12-15)25(29(27,28)24(6)7)14-22(26)23-19(5)20-11-10-16(2)18(4)13-20/h8-13,19H,14H2,1-7H3,(H,23,26)
InChIKeyVKBIDPINMCBXFN-UHFFFAOYSA-N
XLogP3.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 132659078
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30390844
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30390850
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186558
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890127
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210794
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133164984
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 92663718
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30175041
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43891929

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (CID 132665488) is N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is Cc1ccc(C)c(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The InChIKey is VKBIDPINMCBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-15-8-9-17(3)21(12-15)25(29(27,28)24(6)7)14-22(26)23-19(5)20-11-10-16(2)18(4)13-20/h8-13,19H,14H2,1-7H3,(H,23,26).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide has a molecular weight of 417.58 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is sourced from PubChem (CID 132665488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).