(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide

C27H24N2O3S — CID 6128957

IUPAC(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C27H24N2O3S/c1-19-16-20(2)18-24(17-19)29-33(31,32)25-13-11-23(12-14-25)28-27(30)15-10-22-8-5-7-21-6-3-4-9-26(21)22/h3-18,29H,1-2H3,(H,28,30)/b15-10+
InChIKeyXJMSTCNLWNBCEX-XNTDXEJSSA-N
MW456.57 g/mol
LogP5.91
Rot. Bonds6

About (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 6128957) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID6128957
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC Name(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C27H24N2O3S/c1-19-16-20(2)18-24(17-19)29-33(31,32)25-13-11-23(12-14-25)28-27(30)15-10-22-8-5-7-21-6-3-4-9-26(21)22/h3-18,29H,1-2H3,(H,28,30)/b15-10+
InChIKeyXJMSTCNLWNBCEX-XNTDXEJSSA-N
XLogP5.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
CID 4929850
N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 4928932
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
(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
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 55485816
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3982456

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 6128957) is (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc4ccccc34)cc2)c1.
What is the InChIKey of (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is XJMSTCNLWNBCEX-XNTDXEJSSA-N. The full InChI is InChI=1S/C27H24N2O3S/c1-19-16-20(2)18-24(17-19)29-33(31,32)25-13-11-23(12-14-25)28-27(30)15-10-22-8-5-7-21-6-3-4-9-26(21)22/h3-18,29H,1-2H3,(H,28,30)/b15-10+.
What are the key properties of (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 456.57 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 6128957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).