N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide

C18H23NO5S — CID 22206237

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H23NO5S/c1-5-24-14-6-9-16(10-7-14)25(20,21)19-13(2)17-12-15(22-3)8-11-18(17)23-4/h6-13,19H,5H2,1-4H3
InChIKeyJXXOKRPGBFVVNC-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.14
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide (PubChem CID 22206237) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
PubChem CID22206237
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H23NO5S/c1-5-24-14-6-9-16(10-7-14)25(20,21)19-13(2)17-12-15(22-3)8-11-18(17)23-4/h6-13,19H,5H2,1-4H3
InChIKeyJXXOKRPGBFVVNC-UHFFFAOYSA-N
XLogP3.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 100553276
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 133203803
3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 55681769
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 9190468

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide (CID 22206237) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide?
The InChIKey is JXXOKRPGBFVVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-5-24-14-6-9-16(10-7-14)25(20,21)19-13(2)17-12-15(22-3)8-11-18(17)23-4/h6-13,19H,5H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 22206237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).