(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide

C15H14N2O3S — CID 5348189

IUPAC(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H14N2O3S/c16-21(19,20)14-8-4-7-13(11-14)17-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H,17,18)(H2,16,19,20)/b10-9+
InChIKeyTUSZAVRAFVPUIC-MDZDMXLPSA-N
MW302.36 g/mol
LogP1.99
Rot. Bonds4

About (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide

(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide (PubChem CID 5348189) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
PubChem CID5348189
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H14N2O3S/c16-21(19,20)14-8-4-7-13(11-14)17-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H,17,18)(H2,16,19,20)/b10-9+
InChIKeyTUSZAVRAFVPUIC-MDZDMXLPSA-N
XLogP1.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.99
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

(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9412994
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide
CID 9413066
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926310
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
N-(3-sulfamoylphenyl)hexa-2,4-dienamide
CID 60635779
(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 72945216
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
(E)-N-(2-aminophenyl)-3-[4-[(3-sulfamoylanilino)methyl]phenyl]prop-2-enamide
CID 20786001
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide (CID 5348189) is (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is TUSZAVRAFVPUIC-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-21(19,20)14-8-4-7-13(11-14)17-15(18)10-9-12-5-2-1-3-6-12/h1-11H,(H,17,18)(H2,16,19,20)/b10-9+.
What are the key properties of (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide?
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide has a molecular weight of 302.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 5348189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).