2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C16H21NO2S2 — CID 43001325

IUPAC2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)c2cccs2)c1C
InChIInChI=1S/C16H21NO2S2/c1-10-9-11(2)13(4)16(12(10)3)21(18,19)17-14(5)15-7-6-8-20-15/h6-9,14,17H,1-5H3
InChIKeyMLCJGMFMBCIUFE-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.02
Rot. Bonds4

About 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 43001325) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID43001325
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC Name2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(C)c2cccs2)c1C
InChIInChI=1S/C16H21NO2S2/c1-10-9-11(2)13(4)16(12(10)3)21(18,19)17-14(5)15-7-6-8-20-15/h6-9,14,17H,1-5H3
InChIKeyMLCJGMFMBCIUFE-UHFFFAOYSA-N
XLogP4.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001330
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 114625113
2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 18191910
2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 81389842
2,5-dimethyl-4-[[(1S)-1-thiophen-2-ylethyl]sulfamoyl]furan-3-carboxylic acid
CID 81391276
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79897333
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679
2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51249257

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 43001325) is 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NC(C)c2cccs2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is MLCJGMFMBCIUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c1-10-9-11(2)13(4)16(12(10)3)21(18,19)17-14(5)15-7-6-8-20-15/h6-9,14,17H,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 323.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43001325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).