3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

C23H25NO3S — CID 46023170

IUPAC3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(c2cccc(C)c2)C(C)c2ccc(C)cc2)c1
InChIInChI=1S/C23H25NO3S/c1-17-11-13-20(14-12-17)19(3)24(21-8-5-7-18(2)15-21)28(25,26)23-10-6-9-22(16-23)27-4/h5-16,19H,1-4H3
InChIKeyMZPMXFNQKMKJHE-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.27
Rot. Bonds6

About 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 46023170) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID46023170
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC Name3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(c2cccc(C)c2)C(C)c2ccc(C)cc2)c1
InChIInChI=1S/C23H25NO3S/c1-17-11-13-20(14-12-17)19(3)24(21-8-5-7-18(2)15-21)28(25,26)23-10-6-9-22(16-23)27-4/h5-16,19H,1-4H3
InChIKeyMZPMXFNQKMKJHE-UHFFFAOYSA-N
XLogP5.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
N-[1-(4-methoxyphenyl)ethyl]-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
CID 42841837
N-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 93207328
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219
N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)-4-nitrobenzenesulfonamide
CID 93207449
3-methoxy-N-[1-(3-methoxyphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 42842051
3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023173
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-3-methoxybenzenesulfonamide
CID 93207637
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 46023170) is 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is COc1cccc(S(=O)(=O)N(c2cccc(C)c2)C(C)c2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is MZPMXFNQKMKJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-17-11-13-20(14-12-17)19(3)24(21-8-5-7-18(2)15-21)28(25,26)23-10-6-9-22(16-23)27-4/h5-16,19H,1-4H3.
What are the key properties of 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 395.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46023170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).