4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide

C18H21NO4S — CID 4789847

IUPAC4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-14-4-8-17(9-5-14)23-13-12-19(3)24(21,22)18-10-6-16(7-11-18)15(2)20/h4-11H,12-13H2,1-3H3
InChIKeyDVPDWQPVXRFHPO-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.90
Rot. Bonds7

About 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide

4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 4789847) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID4789847
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-14-4-8-17(9-5-14)23-13-12-19(3)24(21,22)18-10-6-16(7-11-18)15(2)20/h4-11H,12-13H2,1-3H3
InChIKeyDVPDWQPVXRFHPO-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

4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
(4-propoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 36569460
4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 18083392
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 24681406
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
CID 2457467
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
(4-methoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24650561
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365795

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide (CID 4789847) is 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(C)cc2)cc1.
What is the InChIKey of 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is DVPDWQPVXRFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-14-4-8-17(9-5-14)23-13-12-19(3)24(21,22)18-10-6-16(7-11-18)15(2)20/h4-11H,12-13H2,1-3H3.
What are the key properties of 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
4-acetyl-N-methyl-N-[2-(4-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 4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 4789847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).