(E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide

C22H22N2O3S — CID 24617435

IUPAC(E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3S/c1-23-28(26,27)16-20-9-3-2-8-19(20)15-24-22(25)14-13-18-11-6-10-17-7-4-5-12-21(17)18/h2-14,23H,15-16H2,1H3,(H,24,25)/b14-13+
InChIKeyLXCRASRIAIOUQW-BUHFOSPRSA-N
MW394.50 g/mol
LogP3.22
Rot. Bonds7

About (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 24617435) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID24617435
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3S/c1-23-28(26,27)16-20-9-3-2-8-19(20)15-24-22(25)14-13-18-11-6-10-17-7-4-5-12-21(17)18/h2-14,23H,15-16H2,1H3,(H,24,25)/b14-13+
InChIKeyLXCRASRIAIOUQW-BUHFOSPRSA-N
XLogP3.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide (CID 24617435) is (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is LXCRASRIAIOUQW-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-23-28(26,27)16-20-9-3-2-8-19(20)15-24-22(25)14-13-18-11-6-10-17-7-4-5-12-21(17)18/h2-14,23H,15-16H2,1H3,(H,24,25)/b14-13+.
What are the key properties of (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 394.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 24617435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).