(E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C18H20N2O4S2 — CID 10385853

IUPAC(E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(/C(=C\C2CCOCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,19,20,21)/b16-12+
InChIKeyHPFMVRXIWVGCSW-FOWTUZBSSA-N
MW392.50 g/mol
LogP3.00
Rot. Bonds5

About (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 10385853) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID10385853
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name(E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(/C(=C\C2CCOCC2)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,19,20,21)/b16-12+
InChIKeyHPFMVRXIWVGCSW-FOWTUZBSSA-N
XLogP3.00
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-propionamide
CID 9799942
(E)-3-cycloheptyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10111868
(E)-N-(5-bromo-thiazol-2-yl)-3-cyclopentyl-2-(4-methanesulfonyl-phenyl)-acrylamide
CID 10115151
(E)-2-(3-bromo-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-thiazol-2-yl-acrylamide
CID 10115152
(E)-2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-thiazol-2-yl-acrylamide
CID 10136295
(E)-3-cyclooctyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10159013
(E)-N-(5-bromo-thiazol-2-yl)-3-cyclohexyl-2-(4-methanesulfonyl-3-trifluoromethyl-phenyl)-acrylamide
CID 10208969
(R)-2-(4-(methylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)-N-(thiazol-2-yl)propanamide
CID 10250045
(E)-4-cyclopentyl-2-(4-methanesulfonyl-phenyl)-but-2-enoic acid thiazol-2-ylamide
CID 10271714
(E)-3-cyclohexyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10293790
(E)-3-cyclohexyl-2-(4-methanesulfonyl-3-trifluoromethyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10298126

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 10385853) is (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is CS(=O)(=O)c1ccc(/C(=C\C2CCOCC2)C(=O)Nc2nccs2)cc1.
What is the InChIKey of (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is HPFMVRXIWVGCSW-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-26(22,23)15-4-2-14(3-5-15)16(12-13-6-9-24-10-7-13)17(21)20-18-19-8-11-25-18/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,19,20,21)/b16-12+.
What are the key properties of (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 392.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 10385853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).