(E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide

C16H18N2O3S2 — CID 52943981

IUPAC(E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide
SMILESCC(C)/C=C(/C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S2/c1-11(2)10-14(15(19)18-16-17-8-9-22-16)12-4-6-13(7-5-12)23(3,20)21/h4-11H,1-3H3,(H,17,18,19)/b14-10+
InChIKeyUVUKJGDYSUGMBE-GXDHUFHOSA-N
MW350.47 g/mol
LogP3.22
Rot. Bonds5

About (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide

(E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide (PubChem CID 52943981) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide
PubChem CID52943981
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name(E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide
SMILESCC(C)/C=C(/C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S2/c1-11(2)10-14(15(19)18-16-17-8-9-22-16)12-4-6-13(7-5-12)23(3,20)21/h4-11H,1-3H3,(H,17,18,19)/b14-10+
InChIKeyUVUKJGDYSUGMBE-GXDHUFHOSA-N
XLogP3.22
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
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5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2463702
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CID 2915589

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide?
The IUPAC name of (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide (CID 52943981) is (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide?
The canonical SMILES for (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide is CC(C)/C=C(/C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide?
The InChIKey is UVUKJGDYSUGMBE-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-11(2)10-14(15(19)18-16-17-8-9-22-16)12-4-6-13(7-5-12)23(3,20)21/h4-11H,1-3H3,(H,17,18,19)/b14-10+.
What are the key properties of (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide?
(E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide has a molecular weight of 350.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pent-2-enamide is sourced from PubChem (CID 52943981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).