3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide

C22H20N2O3S — CID 4929850

IUPAC3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H20N2O3S/c1-2-16-23-28(26,27)20-13-11-19(12-14-20)24-22(25)15-10-18-8-5-7-17-6-3-4-9-21(17)18/h2-15,23H,1,16H2,(H,24,25)
InChIKeyLSSUTVONDNDSKS-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.96
Rot. Bonds7

About 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide

3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 4929850) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
PubChem CID4929850
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H20N2O3S/c1-2-16-23-28(26,27)20-13-11-19(12-14-20)24-22(25)15-10-18-8-5-7-17-6-3-4-9-21(17)18/h2-15,23H,1,16H2,(H,24,25)
InChIKeyLSSUTVONDNDSKS-UHFFFAOYSA-N
XLogP3.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 4928932
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6128957
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
CID 6233082
(E)-3-(2-chlorophenyl)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6233561
(E)-3-(2-methoxyphenyl)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6233562
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 6233859

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide (CID 4929850) is 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide is C=CCNS(=O)(=O)c1ccc(NC(=O)C=Cc2cccc3ccccc23)cc1.
What is the InChIKey of 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is LSSUTVONDNDSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-2-16-23-28(26,27)20-13-11-19(12-14-20)24-22(25)15-10-18-8-5-7-17-6-3-4-9-21(17)18/h2-15,23H,1,16H2,(H,24,25).
What are the key properties of 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide?
3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 392.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 4929850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).