4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide

C22H31NO4S — CID 24671593

IUPAC4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C22H31NO4S/c1-14-11-17(22(4,5)6)12-15(2)21(14)28(24,25)23-16(3)19-13-18(26-7)9-10-20(19)27-8/h9-13,16,23H,1-8H3
InChIKeyFFARSQZQGLUMIM-UHFFFAOYSA-N
MW405.56 g/mol
LogP4.66
Rot. Bonds6

About 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide

4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 24671593) has the molecular formula C22H31NO4S and a molecular weight of 405.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
PubChem CID24671593
Molecular FormulaC22H31NO4S
Molecular Weight405.56 g/mol
Exact Mass405.20
IUPAC Name4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C22H31NO4S/c1-14-11-17(22(4,5)6)12-15(2)21(14)28(24,25)23-16(3)19-13-18(26-7)9-10-20(19)27-8/h9-13,16,23H,1-8H3
InChIKeyFFARSQZQGLUMIM-UHFFFAOYSA-N
XLogP4.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 43874177
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 27665299
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19584255
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 7028776
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 9190468

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide (CID 24671593) is 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide is COc1ccc(OC)c(C(C)NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1.
What is the InChIKey of 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is FFARSQZQGLUMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4S/c1-14-11-17(22(4,5)6)12-15(2)21(14)28(24,25)23-16(3)19-13-18(26-7)9-10-20(19)27-8/h9-13,16,23H,1-8H3.
What are the key properties of 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide?
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 405.56 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 24671593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).