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

C25H20N2O3S — CID 5157349

IUPAC3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H20N2O3S/c28-25(18-13-20-9-6-8-19-7-4-5-12-24(19)20)26-21-14-16-23(17-15-21)31(29,30)27-22-10-2-1-3-11-22/h1-18,27H,(H,26,28)
InChIKeyURTSDPADVNWADC-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.29
Rot. Bonds6

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

3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 5157349) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
PubChem CID5157349
Molecular FormulaC25H20N2O3S
Molecular Weight428.51 g/mol
Exact Mass428.12
IUPAC Name3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1cccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H20N2O3S/c28-25(18-13-20-9-6-8-19-7-4-5-12-24(19)20)26-21-14-16-23(17-15-21)31(29,30)27-22-10-2-1-3-11-22/h1-18,27H,(H,26,28)
InChIKeyURTSDPADVNWADC-UHFFFAOYSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-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

(E)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6128957
N-[4-(benzylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 4928932
3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
CID 4929850
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
4-oxo-4-[4-(phenylsulfamoyl)anilino]but-2-enoic acid
CID 927105
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
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-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 55485816
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3314402
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide (CID 5157349) is 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide is O=C(C=Cc1cccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is URTSDPADVNWADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S/c28-25(18-13-20-9-6-8-19-7-4-5-12-24(19)20)26-21-14-16-23(17-15-21)31(29,30)27-22-10-2-1-3-11-22/h1-18,27H,(H,26,28).
What are the key properties of 3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide?
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 428.51 g/mol, XLogP of 5.29, 6 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-(phenylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 5157349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).