(E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

C16H16N2O4S — CID 922062

IUPAC(E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N2O4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-13-5-9-15(10-6-13)23(17,20)21/h2-11H,1H3,(H,18,19)(H2,17,20,21)/b11-4+
InChIKeySLLBQNVGZMNZFA-NYYWCZLTSA-N
MW332.38 g/mol
LogP1.99
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 922062) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID922062
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N2O4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-13-5-9-15(10-6-13)23(17,20)21/h2-11H,1H3,(H,18,19)(H2,17,20,21)/b11-4+
InChIKeySLLBQNVGZMNZFA-NYYWCZLTSA-N
XLogP1.99
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-(2-Amino-phenyl)-3-[4-(3,4-dimethoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10226045
N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide
CID 1301227
2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxamide
CID 917163
4-[({[3-(2-methoxyphenyl)acryloyl]amino}carbothioyl)amino]-N-methyl-N-phenylbenzenesulfonamide
CID 1792197
(2E)-2-cyano-3-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070922
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
(E)-2-cyano-N-(4-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8281641
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371576

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 922062) is (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is SLLBQNVGZMNZFA-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-13-5-9-15(10-6-13)23(17,20)21/h2-11H,1H3,(H,18,19)(H2,17,20,21)/b11-4+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 332.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 922062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).