N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide

C17H19NO3S — CID 4885028

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C17H19NO3S/c1-18(14-16-10-6-7-11-17(16)21-2)22(19,20)13-12-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyIOXUYJNBTZCXGC-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.13
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide (PubChem CID 4885028) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
PubChem CID4885028
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C17H19NO3S/c1-18(14-16-10-6-7-11-17(16)21-2)22(19,20)13-12-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyIOXUYJNBTZCXGC-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide
CID 8778167
N-[(2-methoxyphenyl)methyl]-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24546673
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
CID 113285744
(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 122225733
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958497
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958472

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide (CID 4885028) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide is COc1ccccc1CN(C)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide?
The InChIKey is IOXUYJNBTZCXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-18(14-16-10-6-7-11-17(16)21-2)22(19,20)13-12-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 4885028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).