4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide

C18H23NO3S — CID 133162836

IUPAC4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-5-16(15-9-7-6-8-10-15)19-23(20,21)18-12-13(2)17(22-4)11-14(18)3/h6-12,16,19H,5H2,1-4H3
InChIKeyCVPWWQZWUUEYFQ-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.74
Rot. Bonds6

About 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide (PubChem CID 133162836) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
PubChem CID133162836
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-5-16(15-9-7-6-8-10-15)19-23(20,21)18-12-13(2)17(22-4)11-14(18)3/h6-12,16,19H,5H2,1-4H3
InChIKeyCVPWWQZWUUEYFQ-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 95118942
5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
CID 63421088
4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 133202228
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate
CID 4018331
2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide
CID 19132718
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide (CID 133162836) is 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide is CCC(NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccccc1.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide?
The InChIKey is CVPWWQZWUUEYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-5-16(15-9-7-6-8-10-15)19-23(20,21)18-12-13(2)17(22-4)11-14(18)3/h6-12,16,19H,5H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 133162836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).