2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide

C18H30N2O5S — CID 4659789

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C18H30N2O5S/c1-12(2)18(13(3)4)19-17(21)11-20(26(7,22)23)15-10-14(24-5)8-9-16(15)25-6/h8-10,12-13,18H,11H2,1-7H3,(H,19,21)
InChIKeyZDQYHQMVHSMQRO-UHFFFAOYSA-N
MW386.51 g/mol
LogP2.27
Rot. Bonds9

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide (PubChem CID 4659789) has the molecular formula C18H30N2O5S and a molecular weight of 386.51 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
PubChem CID4659789
Molecular FormulaC18H30N2O5S
Molecular Weight386.51 g/mol
Exact Mass386.19
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C18H30N2O5S/c1-12(2)18(13(3)4)19-17(21)11-20(26(7,22)23)15-10-14(24-5)8-9-16(15)25-6/h8-10,12-13,18H,11H2,1-7H3,(H,19,21)
InChIKeyZDQYHQMVHSMQRO-UHFFFAOYSA-N
XLogP2.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 93488377
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43910376
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 94012884
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43895699
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 100766570
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133163169
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 1298122
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43886110
2-(2-methoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564349
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9477701

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide (CID 4659789) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide is COc1ccc(OC)c(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide?
The InChIKey is ZDQYHQMVHSMQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5S/c1-12(2)18(13(3)4)19-17(21)11-20(26(7,22)23)15-10-14(24-5)8-9-16(15)25-6/h8-10,12-13,18H,11H2,1-7H3,(H,19,21).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide has a molecular weight of 386.51 g/mol, XLogP of 2.27, 9 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-(2,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 4659789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).