N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide

C20H25NO4S — CID 9469734

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO4S/c1-15-5-8-18(9-6-15)26(23,24)12-11-20(22)21(3)14-17-13-16(2)7-10-19(17)25-4/h5-10,13H,11-12,14H2,1-4H3
InChIKeyQVXCOKYMIUVRIF-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.13
Rot. Bonds7

About N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 9469734) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID9469734
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO4S/c1-15-5-8-18(9-6-15)26(23,24)12-11-20(22)21(3)14-17-13-16(2)7-10-19(17)25-4/h5-10,13H,11-12,14H2,1-4H3
InChIKeyQVXCOKYMIUVRIF-UHFFFAOYSA-N
XLogP3.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide 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-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 31840738
5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
CID 82011236
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
3-[(2-methoxy-5-methylphenyl)methyl-methylsulfamoyl]propanoic acid
CID 43362202
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 51073326
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
N-(2-cyanoethyl)-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 60707481
3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
CID 115139401

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide (CID 9469734) is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide is COc1ccc(C)cc1CN(C)C(=O)CCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is QVXCOKYMIUVRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15-5-8-18(9-6-15)26(23,24)12-11-20(22)21(3)14-17-13-16(2)7-10-19(17)25-4/h5-10,13H,11-12,14H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 375.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 9469734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).