2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C23H32N2O4S — CID 43916160

IUPAC2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N2O4S/c1-16(2)14-21(19-10-12-20(29-5)13-11-19)24-22(26)15-25(30(6,27)28)23-17(3)8-7-9-18(23)4/h7-13,16,21H,14-15H2,1-6H3,(H,24,26)
InChIKeyKYBCRIYGIPKELZ-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.98
Rot. Bonds9

About 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 43916160) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID43916160
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N2O4S/c1-16(2)14-21(19-10-12-20(29-5)13-11-19)24-22(26)15-25(30(6,27)28)23-17(3)8-7-9-18(23)4/h7-13,16,21H,14-15H2,1-6H3,(H,24,26)
InChIKeyKYBCRIYGIPKELZ-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43896154
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28572798
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide
CID 92673488
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46763931
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94019164
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43886110
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 28632707
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43915575
2-[N-(dimethylsulfamoyl)anilino]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 99949630
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567894
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92682522
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92675214

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 43916160) is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide is COc1ccc(C(CC(C)C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is KYBCRIYGIPKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-16(2)14-21(19-10-12-20(29-5)13-11-19)24-22(26)15-25(30(6,27)28)23-17(3)8-7-9-18(23)4/h7-13,16,21H,14-15H2,1-6H3,(H,24,26).
What are the key properties of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 432.59 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 43916160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).