N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide

C14H23NO3S — CID 115613367

IUPACN-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-5-12(6-2)10-15-19(16,17)13-7-8-14(18-4)11(3)9-13/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyYLXFMNHCMTYZHY-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.72
Rot. Bonds7

About N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide

N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 115613367) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID115613367
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-5-12(6-2)10-15-19(16,17)13-7-8-14(18-4)11(3)9-13/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyYLXFMNHCMTYZHY-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
2-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222500
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 121145624
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
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
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide (CID 115613367) is N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide is CCC(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is YLXFMNHCMTYZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-12(6-2)10-15-19(16,17)13-7-8-14(18-4)11(3)9-13/h7-9,12,15H,5-6,10H2,1-4H3.
What are the key properties of N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 115613367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).