N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide

C19H24N2O5S — CID 2967875

IUPACN-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-13-6-8-15(9-7-13)21(27(5,23)24)14(2)19(22)20-17-11-10-16(25-3)12-18(17)26-4/h6-12,14H,1-5H3,(H,20,22)
InChIKeyJICWNLNJUGLPFW-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.81
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide

N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 2967875) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID2967875
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-13-6-8-15(9-7-13)21(27(5,23)24)14(2)19(22)20-17-11-10-16(25-3)12-18(17)26-4/h6-12,14H,1-5H3,(H,20,22)
InChIKeyJICWNLNJUGLPFW-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 2967875) is N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide is COc1ccc(NC(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is JICWNLNJUGLPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-6-8-15(9-7-13)21(27(5,23)24)14(2)19(22)20-17-11-10-16(25-3)12-18(17)26-4/h6-12,14H,1-5H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2967875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).