N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide

C19H24N2O5S — CID 113141702

IUPACN-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(c2ccccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O5S/c1-14-7-5-6-8-17(14)21(27(4,23)24)12-11-19(22)20-16-13-15(25-2)9-10-18(16)26-3/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyINIKIUIHDIFAPN-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.81
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide

N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113141702) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113141702
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(c2ccccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O5S/c1-14-7-5-6-8-17(14)21(27(4,23)24)12-11-19(22)20-16-13-15(25-2)9-10-18(16)26-3/h5-10,13H,11-12H2,1-4H3,(H,20,22)
InChIKeyINIKIUIHDIFAPN-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide 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

N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
N-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536
N-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110422934
2-(N-acetyl-2-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113167394
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 92680849
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 113144630

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide (CID 113141702) is N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide is COc1ccc(OC)c(NC(=O)CCN(c2ccccc2C)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is INIKIUIHDIFAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-7-5-6-8-17(14)21(27(4,23)24)12-11-19(22)20-16-13-15(25-2)9-10-18(16)26-3/h5-10,13H,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide?
N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).