2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide

C23H32N2O5S — CID 43895699

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H32N2O5S/c1-17(15-23(2,3)18-10-8-7-9-11-18)24-22(26)16-25(31(6,27)28)20-14-19(29-4)12-13-21(20)30-5/h7-14,17H,15-16H2,1-6H3,(H,24,26)
InChIKeyYYARMYZCUYNRIM-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.34
Rot. Bonds10

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide (PubChem CID 43895699) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
PubChem CID43895699
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H32N2O5S/c1-17(15-23(2,3)18-10-8-7-9-11-18)24-22(26)16-25(31(6,27)28)20-14-19(29-4)12-13-21(20)30-5/h7-14,17H,15-16H2,1-6H3,(H,24,26)
InChIKeyYYARMYZCUYNRIM-UHFFFAOYSA-N
XLogP3.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 4659789
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43895242
N-(4-methyl-4-phenylpentan-2-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 43901431
N-(4-methyl-4-phenylpentan-2-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896244
4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide
CID 133202217
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 100766570
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43910376
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 93488377
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 94012884
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43898172
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide (CID 43895699) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide is COc1ccc(OC)c(N(CC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide?
The InChIKey is YYARMYZCUYNRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-17(15-23(2,3)18-10-8-7-9-11-18)24-22(26)16-25(31(6,27)28)20-14-19(29-4)12-13-21(20)30-5/h7-14,17H,15-16H2,1-6H3,(H,24,26).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide has a molecular weight of 448.59 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide is sourced from PubChem (CID 43895699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).