N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide

C26H22N2O3S — CID 4928932

IUPACN-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H22N2O3S/c29-26(18-13-22-11-6-10-21-9-4-5-12-25(21)22)28-23-14-16-24(17-15-23)32(30,31)27-19-20-7-2-1-3-8-20/h1-18,27H,19H2,(H,28,29)
InChIKeyJBEQMMUKJWTIIU-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.97
Rot. Bonds7

About N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide

N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 4928932) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID4928932
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C26H22N2O3S/c29-26(18-13-22-11-6-10-21-9-4-5-12-25(21)22)28-23-14-16-24(17-15-23)32(30,31)27-19-20-7-2-1-3-8-20/h1-18,27H,19H2,(H,28,29)
InChIKeyJBEQMMUKJWTIIU-UHFFFAOYSA-N
XLogP4.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.97
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

3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
CID 4929850
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
(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
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N-[4-(benzylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4045248
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
(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 98910520
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 5176366

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 4928932) is N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is O=C(C=Cc1cccc2ccccc12)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is JBEQMMUKJWTIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c29-26(18-13-22-11-6-10-21-9-4-5-12-25(21)22)28-23-14-16-24(17-15-23)32(30,31)27-19-20-7-2-1-3-8-20/h1-18,27H,19H2,(H,28,29).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 442.54 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 4928932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).