N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide

C18H23NO3S — CID 43874177

IUPACN-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H23NO3S/c1-12-10-13(2)18(14(3)11-12)23(20,21)19-15(4)16-8-6-7-9-17(16)22-5/h6-11,15,19H,1-5H3
InChIKeyGQRFKNGWIJDCHW-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.66
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 43874177) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID43874177
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H23NO3S/c1-12-10-13(2)18(14(3)11-12)23(20,21)19-15(4)16-8-6-7-9-17(16)22-5/h6-11,15,19H,1-5H3
InChIKeyGQRFKNGWIJDCHW-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 24671593
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79918576
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 43874177) is N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide is COc1ccccc1C(C)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is GQRFKNGWIJDCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-12-10-13(2)18(14(3)11-12)23(20,21)19-15(4)16-8-6-7-9-17(16)22-5/h6-11,15,19H,1-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 43874177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).