2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

C25H30N2O5S — CID 43895695

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C25H30N2O5S/c1-18(14-20-10-7-9-19-8-5-6-11-22(19)20)16-26-25(28)17-27(33(4,29)30)23-15-21(31-2)12-13-24(23)32-3/h5-13,15,18H,14,16-17H2,1-4H3,(H,26,28)
InChIKeyZWLWXXYSGFOPAJ-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.62
Rot. Bonds10

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 43895695) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
PubChem CID43895695
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C25H30N2O5S/c1-18(14-20-10-7-9-19-8-5-6-11-22(19)20)16-26-25(28)17-27(33(4,29)30)23-15-21(31-2)12-13-24(23)32-3/h5-13,15,18H,14,16-17H2,1-4H3,(H,26,28)
InChIKeyZWLWXXYSGFOPAJ-UHFFFAOYSA-N
XLogP3.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892591
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43897556
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895321
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895793
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43899207
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896375
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895020
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896036
N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220809
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 4659789
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 43895695) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is COc1ccc(OC)c(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is ZWLWXXYSGFOPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-18(14-20-10-7-9-19-8-5-6-11-22(19)20)16-26-25(28)17-27(33(4,29)30)23-15-21(31-2)12-13-24(23)32-3/h5-13,15,18H,14,16-17H2,1-4H3,(H,26,28).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 470.59 g/mol, XLogP of 3.62, 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-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 43895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).