N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide

C20H27NO3S — CID 22204794

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C20H27NO3S/c1-7-24-19-10-8-18(9-11-19)17(6)21-25(22,23)20-15(4)13(2)12-14(3)16(20)5/h8-12,17,21H,7H2,1-6H3
InChIKeySQZRSDDBBRRUEY-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.36
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 22204794) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID22204794
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCOc1ccc(C(C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C20H27NO3S/c1-7-24-19-10-8-18(9-11-19)17(6)21-25(22,23)20-15(4)13(2)12-14(3)16(20)5/h8-12,17,21H,7H2,1-6H3
InChIKeySQZRSDDBBRRUEY-UHFFFAOYSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
CID 74768382
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
methyl 4-chloro-3-[1-(4-ethoxyphenyl)ethylsulfamoyl]benzoate
CID 55598676
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28578729
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51249257
4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 94143773
ethyl (3R)-3-(4-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7044296

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 22204794) is N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide is CCOc1ccc(C(C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is SQZRSDDBBRRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-7-24-19-10-8-18(9-11-19)17(6)21-25(22,23)20-15(4)13(2)12-14(3)16(20)5/h8-12,17,21H,7H2,1-6H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 22204794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).