(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide

C18H20N2O3S — CID 31244061

IUPAC(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-13-4-10-17(14(2)12-13)19-18(21)11-7-15-5-8-16(9-6-15)20-24(3,22)23/h4-12,20H,1-3H3,(H,19,21)/b11-7+
InChIKeyNHLVLOVMJDTJPK-YRNVUSSQSA-N
MW344.44 g/mol
LogP3.33
Rot. Bonds5

About (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide

(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (PubChem CID 31244061) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
PubChem CID31244061
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-13-4-10-17(14(2)12-13)19-18(21)11-7-15-5-8-16(9-6-15)20-24(3,22)23/h4-12,20H,1-3H3,(H,19,21)/b11-7+
InChIKeyNHLVLOVMJDTJPK-YRNVUSSQSA-N
XLogP3.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.33
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)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244745
(E)-N-(4-bromo-3-methylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55510786
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51333544
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
(E)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6083457
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 30296515
(E)-N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2600144
(E)-3-[4-(methanesulfonamido)phenyl]-N-(2-methyl-3-nitrophenyl)prop-2-enamide
CID 25348431
(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26666081

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (CID 31244061) is (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The InChIKey is NHLVLOVMJDTJPK-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-4-10-17(14(2)12-13)19-18(21)11-7-15-5-8-16(9-6-15)20-24(3,22)23/h4-12,20H,1-3H3,(H,19,21)/b11-7+.
What are the key properties of (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is sourced from PubChem (CID 31244061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).