2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide

C20H25ClN2O5S — CID 46763702

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H25ClN2O5S/c1-14-6-8-16(11-17(14)21)23(29(5,25)26)13-20(24)22(2)12-15-7-9-18(27-3)19(10-15)28-4/h6-11H,12-13H2,1-5H3
InChIKeyHBEJFDQOKBXYBL-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.09
Rot. Bonds8

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 46763702) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID46763702
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H25ClN2O5S/c1-14-6-8-16(11-17(14)21)23(29(5,25)26)13-20(24)22(2)12-15-7-9-18(27-3)19(10-15)28-4/h6-11H,12-13H2,1-5H3
InChIKeyHBEJFDQOKBXYBL-UHFFFAOYSA-N
XLogP3.09
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide 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-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 99959166
2-(4-bromo-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 28632911
N-benzyl-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 1098087
2-(2-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92672008
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 46771835
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92684925
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 46764440
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 28574072
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 99956830
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 28636215
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide
CID 30170212
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2279014

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide (CID 46763702) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is HBEJFDQOKBXYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-14-6-8-16(11-17(14)21)23(29(5,25)26)13-20(24)22(2)12-15-7-9-18(27-3)19(10-15)28-4/h6-11H,12-13H2,1-5H3.
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 440.95 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 46763702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).