2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C15H19NO4S2 — CID 110758706

IUPAC2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccs2)c(OC)c1C
InChIInChI=1S/C15H19NO4S2/c1-11-13(19-2)6-7-14(15(11)20-3)22(17,18)16-9-8-12-5-4-10-21-12/h4-7,10,16H,8-9H2,1-3H3
InChIKeyXNGATONJVYDBOD-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.59
Rot. Bonds7

About 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 110758706) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID110758706
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC Name2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccs2)c(OC)c1C
InChIInChI=1S/C15H19NO4S2/c1-11-13(19-2)6-7-14(15(11)20-3)22(17,18)16-9-8-12-5-4-10-21-12/h4-7,10,16H,8-9H2,1-3H3
InChIKeyXNGATONJVYDBOD-UHFFFAOYSA-N
XLogP2.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 110758714
2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758795
3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 21110298
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 110758706) is 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cccs2)c(OC)c1C.
What is the InChIKey of 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is XNGATONJVYDBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-11-13(19-2)6-7-14(15(11)20-3)22(17,18)16-9-8-12-5-4-10-21-12/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 341.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110758706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).