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

C15H19NO4S2 — CID 110733478

IUPAC3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCc2cccs2)cc1OC
InChIInChI=1S/C15H19NO4S2/c1-16(9-8-12-5-4-10-21-12)22(17,18)13-6-7-14(19-2)15(11-13)20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYFMXKFIHMMWXMU-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.63
Rot. Bonds7

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

3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 110733478) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID110733478
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC Name3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CCc2cccs2)cc1OC
InChIInChI=1S/C15H19NO4S2/c1-16(9-8-12-5-4-10-21-12)22(17,18)13-6-7-14(19-2)15(11-13)20-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYFMXKFIHMMWXMU-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

2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733501
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
3-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79488125
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
N-(3-hydroxybutyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 115741211
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
4-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1428959
3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 171134147

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 110733478) is 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CCc2cccs2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is YFMXKFIHMMWXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-16(9-8-12-5-4-10-21-12)22(17,18)13-6-7-14(19-2)15(11-13)20-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
3,4-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 3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110733478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).