4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide

C18H23NO4S — CID 113090486

IUPAC4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
SMILESCOc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO4S/c1-18(2,14-5-7-15(22-3)8-6-14)13-19-24(20,21)17-11-9-16(23-4)10-12-17/h5-12,19H,13H2,1-4H3
InChIKeyUXKWMSNUORIPSI-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.96
Rot. Bonds7

About 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide

4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide (PubChem CID 113090486) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
PubChem CID113090486
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide
SMILESCOc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO4S/c1-18(2,14-5-7-15(22-3)8-6-14)13-19-24(20,21)17-11-9-16(23-4)10-12-17/h5-12,19H,13H2,1-4H3
InChIKeyUXKWMSNUORIPSI-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(4-methoxyphenyl)-2-methylpropyl]sulfamoyl]phenyl]acetamide
CID 113090514
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362965
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide (CID 113090486) is 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide is COc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide?
The InChIKey is UXKWMSNUORIPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-18(2,14-5-7-15(22-3)8-6-14)13-19-24(20,21)17-11-9-16(23-4)10-12-17/h5-12,19H,13H2,1-4H3.
What are the key properties of 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide?
4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 113090486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).