4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide

C22H27NO3S — CID 154715293

IUPAC4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(/C=C(\OC(C)(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H27NO3S/c1-6-16-23(27(24,25)20-14-12-18(2)13-15-20)17-21(26-22(3,4)5)19-10-8-7-9-11-19/h6-15,17H,1,16H2,2-5H3/b21-17-
InChIKeyXAVVDYKCCPPNGT-FXBPSFAMSA-N
MW385.53 g/mol
LogP4.99
Rot. Bonds7

About 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide

4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 154715293) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID154715293
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC Name4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(/C=C(\OC(C)(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H27NO3S/c1-6-16-23(27(24,25)20-14-12-18(2)13-15-20)17-21(26-22(3,4)5)19-10-8-7-9-11-19/h6-15,17H,1,16H2,2-5H3/b21-17-
InChIKeyXAVVDYKCCPPNGT-FXBPSFAMSA-N
XLogP4.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide (CID 154715293) is 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(/C=C(\OC(C)(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is XAVVDYKCCPPNGT-FXBPSFAMSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-6-16-23(27(24,25)20-14-12-18(2)13-15-20)17-21(26-22(3,4)5)19-10-8-7-9-11-19/h6-15,17H,1,16H2,2-5H3/b21-17-.
What are the key properties of 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide?
4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 385.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-phenylethenyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 154715293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).