2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C15H19NO4S2 — CID 110733479

IUPAC2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCc2cccs2)c(OC)c1
InChIInChI=1S/C15H19NO4S2/c1-16(9-8-13-5-4-10-21-13)22(17,18)15-7-6-12(19-2)11-14(15)20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZYYZPIFSYDDLHI-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.63
Rot. Bonds7

About 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 110733479) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID110733479
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC Name2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCc2cccs2)c(OC)c1
InChIInChI=1S/C15H19NO4S2/c1-16(9-8-13-5-4-10-21-13)22(17,18)15-7-6-12(19-2)11-14(15)20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZYYZPIFSYDDLHI-UHFFFAOYSA-N
XLogP2.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90495780
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
4-(chloromethyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102704190
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide
CID 110669733
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126
[4-methoxy-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]boronic acid
CID 79489171

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 110733479) is 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CCc2cccs2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is ZYYZPIFSYDDLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-16(9-8-13-5-4-10-21-13)22(17,18)15-7-6-12(19-2)11-14(15)20-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 341.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110733479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).