(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide

C16H16N2O4S — CID 6295909

IUPAC(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1
InChIInChI=1S/C16H16N2O4S/c1-11-2-4-12(5-3-11)6-9-16(20)18-14-10-13(23(17,21)22)7-8-15(14)19/h2-10,19H,1H3,(H,18,20)(H2,17,21,22)/b9-6+
InChIKeyFHNOQNOHPRYWQX-RMKNXTFCSA-N
MW332.38 g/mol
LogP2.00
Rot. Bonds4

About (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 6295909) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID6295909
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1
InChIInChI=1S/C16H16N2O4S/c1-11-2-4-12(5-3-11)6-9-16(20)18-14-10-13(23(17,21)22)7-8-15(14)19/h2-10,19H,1H3,(H,18,20)(H2,17,21,22)/b9-6+
InChIKeyFHNOQNOHPRYWQX-RMKNXTFCSA-N
XLogP2.00
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817796
1-(2,5-Dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817797
N-(2-hydroxy-5-sulfamoylphenyl)-4-nitrobenzamide
CID 4280205
N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-3-phenyl-acrylamide
CID 732138
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 3484885
N-[4-[(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 4833255
1-Benzyl-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 15645619
1-(2-Hydroxy-5-sulfamoylphenyl)-3-(2-phenylethyl)urea
CID 145987209
1-(4-Ethylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 145987828
1-(4-Butylphenyl)-3-(2-hydroxy-5-sulfamoylphenyl)urea
CID 145988784
1-(2-Hydroxy-5-sulfamoylphenyl)-3-phenylurea
CID 145990881

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide (CID 6295909) is (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1.
What is the InChIKey of (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is FHNOQNOHPRYWQX-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11-2-4-12(5-3-11)6-9-16(20)18-14-10-13(23(17,21)22)7-8-15(14)19/h2-10,19H,1H3,(H,18,20)(H2,17,21,22)/b9-6+.
What are the key properties of (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 332.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 6295909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).