N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C21H29NO4S — CID 22206259

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C21H29NO4S/c1-12-13(2)15(4)21(16(5)14(12)3)27(23,24)22-17(6)19-11-18(25-7)9-10-20(19)26-8/h9-11,17,22H,1-8H3
InChIKeyZGQIQNVOWBRJFY-UHFFFAOYSA-N
MW391.53 g/mol
LogP4.29
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 22206259) has the molecular formula C21H29NO4S and a molecular weight of 391.53 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID22206259
Molecular FormulaC21H29NO4S
Molecular Weight391.53 g/mol
Exact Mass391.18
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C21H29NO4S/c1-12-13(2)15(4)21(16(5)14(12)3)27(23,24)22-17(6)19-11-18(25-7)9-10-20(19)26-8/h9-11,17,22H,1-8H3
InChIKeyZGQIQNVOWBRJFY-UHFFFAOYSA-N
XLogP4.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 24671593
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 7028776
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 9190468
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 27665299

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 22206259) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is COc1ccc(OC)c(C(C)NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is ZGQIQNVOWBRJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4S/c1-12-13(2)15(4)21(16(5)14(12)3)27(23,24)22-17(6)19-11-18(25-7)9-10-20(19)26-8/h9-11,17,22H,1-8H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 391.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 22206259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).