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

C18H19ClN2O3S2 — CID 10136295

IUPAC(E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(/C(=C\C2CCCC2)C(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C18H19ClN2O3S2/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18/h6-12H,2-5H2,1H3,(H,20,21,22)/b14-10+
InChIKeyLQQZQDWVRVMLMR-GXDHUFHOSA-N
MW410.95 g/mol
LogP4.41
Rot. Bonds5

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

(E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 10136295) has the molecular formula C18H19ClN2O3S2 and a molecular weight of 410.95 g/mol. Its IUPAC name is (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID10136295
Molecular FormulaC18H19ClN2O3S2
Molecular Weight410.95 g/mol
Exact Mass410.05
IUPAC Name(E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCS(=O)(=O)c1ccc(/C(=C\C2CCCC2)C(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C18H19ClN2O3S2/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18/h6-12H,2-5H2,1H3,(H,20,21,22)/b14-10+
InChIKeyLQQZQDWVRVMLMR-GXDHUFHOSA-N
XLogP4.41
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.41
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

(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)-3-cyclooctyl-2-(4-methanesulfonyl-phenyl)-N-thiazol-2-yl-acrylamide
CID 10159013
(E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 10270299
(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
(E)-N-(5-bromo-thiazol-2-yl)-3-cycloheptyl-2-(4-methanesulfonyl-phenyl)-acrylamide
CID 10299638
LY-2121260
CID 10341191

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 10136295) is (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide is CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)C(=O)Nc2nccs2)cc1Cl.
What is the InChIKey of (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is LQQZQDWVRVMLMR-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H19ClN2O3S2/c1-26(23,24)16-7-6-13(11-15(16)19)14(10-12-4-2-3-5-12)17(22)21-18-20-8-9-25-18/h6-12H,2-5H2,1H3,(H,20,21,22)/b14-10+.
What are the key properties of (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 410.95 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 10136295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).