4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide

C19H25NO3S — CID 133184980

IUPAC4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)cc1
InChIInChI=1S/C19H25NO3S/c1-6-17(16-9-7-13(2)8-10-16)20-24(21,22)19-12-11-18(23-5)14(3)15(19)4/h7-12,17,20H,6H2,1-5H3
InChIKeyAJWQJWGHCRWDTK-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.05
Rot. Bonds6

About 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide

4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide (PubChem CID 133184980) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
PubChem CID133184980
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)cc1
InChIInChI=1S/C19H25NO3S/c1-6-17(16-9-7-13(2)8-10-16)20-24(21,22)19-12-11-18(23-5)14(3)15(19)4/h7-12,17,20H,6H2,1-5H3
InChIKeyAJWQJWGHCRWDTK-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
ethyl (3R)-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40884931
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide (CID 133184980) is 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The InChIKey is AJWQJWGHCRWDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-6-17(16-9-7-13(2)8-10-16)20-24(21,22)19-12-11-18(23-5)14(3)15(19)4/h7-12,17,20H,6H2,1-5H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 133184980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).