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

C21H20N2O3S — CID 55485816

IUPAC(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc3ccccc23)c1
InChIInChI=1S/C21H20N2O3S/c1-23(2)27(25,26)19-11-6-10-18(15-19)22-21(24)14-13-17-9-5-8-16-7-3-4-12-20(16)17/h3-15H,1-2H3,(H,22,24)/b14-13+
InChIKeyVPDXJAFQJTXALT-BUHFOSPRSA-N
MW380.47 g/mol
LogP3.74
Rot. Bonds5

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

(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 55485816) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID55485816
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc3ccccc23)c1
InChIInChI=1S/C21H20N2O3S/c1-23(2)27(25,26)19-11-6-10-18(15-19)22-21(24)14-13-17-9-5-8-16-7-3-4-12-20(16)17/h3-15H,1-2H3,(H,22,24)/b14-13+
InChIKeyVPDXJAFQJTXALT-BUHFOSPRSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333611
(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 8961643
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
(E)-N-(3-morpholin-4-ylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 17371690
N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 681397
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3377274
(E)-3-(2-bromophenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072299
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8961604
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 55485816) is (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc3ccccc23)c1.
What is the InChIKey of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is VPDXJAFQJTXALT-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-23(2)27(25,26)19-11-6-10-18(15-19)22-21(24)14-13-17-9-5-8-16-7-3-4-12-20(16)17/h3-15H,1-2H3,(H,22,24)/b14-13+.
What are the key properties of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 380.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 55485816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).