(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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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 24612653
(E)-3-(3-chloro-4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 34535820
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17408196
(E)-3-(5-bromo-2-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 33452979
(E)-3-(2,6-dichlorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 38123668
(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 98910520
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide
CID 24669101
N-benzyl-4-[2-[(Z)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 92962067
(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55534896
(E)-3-(1,3-benzoxazol-2-yl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 33449264

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).