4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide

C19H25NO5S — CID 55639103

IUPAC4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC)cc1C
InChIInChI=1S/C19H25NO5S/c1-15-13-17(9-10-18(15)25-12-11-23-3)26(21,22)20(2)14-16-7-5-6-8-19(16)24-4/h5-10,13H,11-12,14H2,1-4H3
InChIKeyHODHTUDYWPFFOI-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.85
Rot. Bonds9

About 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide

4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide (PubChem CID 55639103) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
PubChem CID55639103
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC)cc1C
InChIInChI=1S/C19H25NO5S/c1-15-13-17(9-10-18(15)25-12-11-23-3)26(21,22)20(2)14-16-7-5-6-8-19(16)24-4/h5-10,13H,11-12,14H2,1-4H3
InChIKeyHODHTUDYWPFFOI-UHFFFAOYSA-N
XLogP2.85
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46418348
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 43909211
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 9317045
N-benzyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 3504330
3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 55681731
N-[5-[(2-methoxyphenyl)methyl-methylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100768809
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide (CID 55639103) is 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide is COCCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2OC)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The InChIKey is HODHTUDYWPFFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-15-13-17(9-10-18(15)25-12-11-23-3)26(21,22)20(2)14-16-7-5-6-8-19(16)24-4/h5-10,13H,11-12,14H2,1-4H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide?
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 55639103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).