N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide

C18H23NO3S — CID 74226638

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H23NO3S/c1-13(2)15-7-11-18(12-8-15)23(20,21)19-14(3)16-5-9-17(22-4)10-6-16/h5-14,19H,1-4H3/t14-/m0/s1
InChIKeyJFZLMODZENOZEJ-AWEZNQCLSA-N
MW333.45 g/mol
LogP3.86
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 74226638) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID74226638
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H23NO3S/c1-13(2)15-7-11-18(12-8-15)23(20,21)19-14(3)16-5-9-17(22-4)10-6-16/h5-14,19H,1-4H3/t14-/m0/s1
InChIKeyJFZLMODZENOZEJ-AWEZNQCLSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide (CID 74226638) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide is COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is JFZLMODZENOZEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13(2)15-7-11-18(12-8-15)23(20,21)19-14(3)16-5-9-17(22-4)10-6-16/h5-14,19H,1-4H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 74226638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).