(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

C26H28FN3O3S — CID 55522699

IUPAC(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
SMILESCc1nc(COc2cccc(/C=C/C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c2)cs1
InChIInChI=1S/C26H28FN3O3S/c1-19-29-23(18-34-19)17-33-24-4-2-3-20(15-24)5-10-26(31)28-16-25(30-11-13-32-14-12-30)21-6-8-22(27)9-7-21/h2-10,15,18,25H,11-14,16-17H2,1H3,(H,28,31)/b10-5+
InChIKeyLSLAZFBQDKAWNY-BJMVGYQFSA-N
MW481.59 g/mol
LogP4.37
Rot. Bonds9

About (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 55522699) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
PubChem CID55522699
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC Name(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
SMILESCc1nc(COc2cccc(/C=C/C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c2)cs1
InChIInChI=1S/C26H28FN3O3S/c1-19-29-23(18-34-19)17-33-24-4-2-3-20(15-24)5-10-26(31)28-16-25(30-11-13-32-14-12-30)21-6-8-22(27)9-7-21/h2-10,15,18,25H,11-14,16-17H2,1H3,(H,28,31)/b10-5+
InChIKeyLSLAZFBQDKAWNY-BJMVGYQFSA-N
XLogP4.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 46493607
(E)-N-[2-(4-fluorophenyl)ethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 26022578
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60596892
(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 46571641
(E)-N-(2,4-difluorophenyl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16591141
(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(1-phenylethyl)prop-2-enamide
CID 16590226
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 86950525
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51126717
(E)-N-[2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 75390651
(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 98932420
(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 26130380
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 103599713

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (CID 55522699) is (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is Cc1nc(COc2cccc(/C=C/C(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c2)cs1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The InChIKey is LSLAZFBQDKAWNY-BJMVGYQFSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-19-29-23(18-34-19)17-33-24-4-2-3-20(15-24)5-10-26(31)28-16-25(30-11-13-32-14-12-30)21-6-8-22(27)9-7-21/h2-10,15,18,25H,11-14,16-17H2,1H3,(H,28,31)/b10-5+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 481.59 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 55522699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).