2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide

C15H26N2O6S2 — CID 113066032

IUPAC2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
SMILESCOCCN(CCNS(=O)(=O)c1cc(C)c(C)cc1OC)S(C)(=O)=O
InChIInChI=1S/C15H26N2O6S2/c1-12-10-14(23-4)15(11-13(12)2)25(20,21)16-6-7-17(8-9-22-3)24(5,18)19/h10-11,16H,6-9H2,1-5H3
InChIKeyRGQBTINECCLSPR-UHFFFAOYSA-N
MW394.52 g/mol
LogP0.50
Rot. Bonds10

About 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide

2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide (PubChem CID 113066032) has the molecular formula C15H26N2O6S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
PubChem CID113066032
Molecular FormulaC15H26N2O6S2
Molecular Weight394.52 g/mol
Exact Mass394.12
IUPAC Name2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
SMILESCOCCN(CCNS(=O)(=O)c1cc(C)c(C)cc1OC)S(C)(=O)=O
InChIInChI=1S/C15H26N2O6S2/c1-12-10-14(23-4)15(11-13(12)2)25(20,21)16-6-7-17(8-9-22-3)24(5,18)19/h10-11,16H,6-9H2,1-5H3
InChIKeyRGQBTINECCLSPR-UHFFFAOYSA-N
XLogP0.50
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide 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-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-N-(3-methoxypropyl)acetamide
CID 113053358
4-chloro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113066039
4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113066025
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113065184
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide (CID 113066032) is 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide is COCCN(CCNS(=O)(=O)c1cc(C)c(C)cc1OC)S(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is RGQBTINECCLSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6S2/c1-12-10-14(23-4)15(11-13(12)2)25(20,21)16-6-7-17(8-9-22-3)24(5,18)19/h10-11,16H,6-9H2,1-5H3.
What are the key properties of 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide?
2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 0.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113066032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).