N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide

C19H25NO3S — CID 93488254

IUPACN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO3S/c1-14(2)13-19(16-7-9-17(23-4)10-8-16)20-24(21,22)18-11-5-15(3)6-12-18/h5-12,14,19-20H,13H2,1-4H3/t19-/m1/s1
InChIKeyDRVYDFCGWMAURZ-LJQANCHMSA-N
MW347.48 g/mol
LogP4.07
Rot. Bonds7

About N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide

N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide (PubChem CID 93488254) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
PubChem CID93488254
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO3S/c1-14(2)13-19(16-7-9-17(23-4)10-8-16)20-24(21,22)18-11-5-15(3)6-12-18/h5-12,14,19-20H,13H2,1-4H3/t19-/m1/s1
InChIKeyDRVYDFCGWMAURZ-LJQANCHMSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 46764694
N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
CID 46778569
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
3-iodo-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 28575587
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-[(1R,3S)-1-isocyano-1-(4-methoxyphenyl)-5-methylhexan-3-yl]-4-methylbenzenesulfonamide
CID 100962662
methyl 2-chloro-5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]benzoate
CID 133185100
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 92672317
5-bromo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-sulfonamide
CID 99959421
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 133187731
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-methyl-5-nitrobenzenesulfonamide
CID 92683906

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide (CID 93488254) is N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide is COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide?
The InChIKey is DRVYDFCGWMAURZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-14(2)13-19(16-7-9-17(23-4)10-8-16)20-24(21,22)18-11-5-15(3)6-12-18/h5-12,14,19-20H,13H2,1-4H3/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide?
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 93488254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).