(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide

C18H19IN2O3S — CID 46450480

IUPAC(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide
SMILESCCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C18H19IN2O3S/c1-3-20-25(23,24)16-8-4-14(5-9-16)6-11-18(22)21-17-10-7-15(19)12-13(17)2/h4-12,20H,3H2,1-2H3,(H,21,22)/b11-6+
InChIKeyDVCSMQHUVHAOFG-IZZDOVSWSA-N
MW470.33 g/mol
LogP3.55
Rot. Bonds6

About (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide

(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide (PubChem CID 46450480) has the molecular formula C18H19IN2O3S and a molecular weight of 470.33 g/mol. Its IUPAC name is (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide
PubChem CID46450480
Molecular FormulaC18H19IN2O3S
Molecular Weight470.33 g/mol
Exact Mass470.02
IUPAC Name(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide
SMILESCCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C18H19IN2O3S/c1-3-20-25(23,24)16-8-4-14(5-9-16)6-11-18(22)21-17-10-7-15(19)12-13(17)2/h4-12,20H,3H2,1-2H3,(H,21,22)/b11-6+
InChIKeyDVCSMQHUVHAOFG-IZZDOVSWSA-N
XLogP3.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(dimethylamino)-2-methylphenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 94108691
N-[3-chloro-2-(dimethylamino)phenyl]-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 55972471
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
N-(4-iodo-2-methylphenyl)-4-(methylsulfamoyl)benzamide
CID 55407314
N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 43425771
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 35864818
N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide
CID 38826839
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide (CID 46450480) is (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide is CCNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide?
The InChIKey is DVCSMQHUVHAOFG-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H19IN2O3S/c1-3-20-25(23,24)16-8-4-14(5-9-16)6-11-18(22)21-17-10-7-15(19)12-13(17)2/h4-12,20H,3H2,1-2H3,(H,21,22)/b11-6+.
What are the key properties of (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide?
(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide has a molecular weight of 470.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-iodo-2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 46450480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).