4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide

C20H25NO3S — CID 166438202

IUPAC4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide
SMILESC=CCC[C@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3S/c1-3-4-10-19(16-24-15-18-8-6-5-7-9-18)21-25(22,23)20-13-11-17(2)12-14-20/h3,5-9,11-14,19,21H,1,4,10,15-16H2,2H3/t19-/m1/s1
InChIKeyAUHTZCGNAKZCQA-LJQANCHMSA-N
MW359.49 g/mol
LogP3.82
Rot. Bonds10

About 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide

4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide (PubChem CID 166438202) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide
PubChem CID166438202
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide
SMILESC=CCC[C@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3S/c1-3-4-10-19(16-24-15-18-8-6-5-7-9-18)21-25(22,23)20-13-11-17(2)12-14-20/h3,5-9,11-14,19,21H,1,4,10,15-16H2,2H3/t19-/m1/s1
InChIKeyAUHTZCGNAKZCQA-LJQANCHMSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide (CID 166438202) is 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide is C=CCC[C@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide?
The InChIKey is AUHTZCGNAKZCQA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-3-4-10-19(16-24-15-18-8-6-5-7-9-18)21-25(22,23)20-13-11-17(2)12-14-20/h3,5-9,11-14,19,21H,1,4,10,15-16H2,2H3/t19-/m1/s1.
What are the key properties of 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide?
4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-1-phenylmethoxyhex-5-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 166438202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).