3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

C18H21NO4S — CID 26544493

IUPAC3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CCOc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO4S/c1-14-6-4-8-17(12-14)23-11-10-19(3)24(21,22)18-9-5-7-16(13-18)15(2)20/h4-9,12-13H,10-11H2,1-3H3
InChIKeyCGGZBMCEMJECAA-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.90
Rot. Bonds7

About 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 26544493) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID26544493
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CCOc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO4S/c1-14-6-4-8-17(12-14)23-11-10-19(3)24(21,22)18-9-5-7-16(13-18)15(2)20/h4-9,12-13H,10-11H2,1-3H3
InChIKeyCGGZBMCEMJECAA-UHFFFAOYSA-N
XLogP2.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(3-methylphenoxy)ethylsulfonyl]phenyl]ethanone
CID 94780477
4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544504
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate
CID 31763548
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
CID 30947686
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552788
3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716109
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
CID 2457467

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (CID 26544493) is 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)CCOc2cccc(C)c2)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is CGGZBMCEMJECAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-14-6-4-8-17(12-14)23-11-10-19(3)24(21,22)18-9-5-7-16(13-18)15(2)20/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 26544493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).