4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide

C19H25NO4S — CID 110673589

IUPAC4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NC(CO)Cc2ccccc2)cc1C
InChIInChI=1S/C19H25NO4S/c1-4-24-18-10-15(3)19(11-14(18)2)25(22,23)20-17(13-21)12-16-8-6-5-7-9-16/h5-11,17,20-21H,4,12-13H2,1-3H3
InChIKeyPSQAOKRWSXENLJ-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.58
Rot. Bonds8

About 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide

4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 110673589) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID110673589
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NC(CO)Cc2ccccc2)cc1C
InChIInChI=1S/C19H25NO4S/c1-4-24-18-10-15(3)19(11-14(18)2)25(22,23)20-17(13-21)12-16-8-6-5-7-9-16/h5-11,17,20-21H,4,12-13H2,1-3H3
InChIKeyPSQAOKRWSXENLJ-UHFFFAOYSA-N
XLogP2.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 110673571
2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide
CID 19132718
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 102675582
N-[2-[(4-ethoxy-2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 110292090
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 42034386
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol
CID 63677132

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide (CID 110673589) is 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NC(CO)Cc2ccccc2)cc1C.
What is the InChIKey of 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is PSQAOKRWSXENLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-4-24-18-10-15(3)19(11-14(18)2)25(22,23)20-17(13-21)12-16-8-6-5-7-9-16/h5-11,17,20-21H,4,12-13H2,1-3H3.
What are the key properties of 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide?
4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110673589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).