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

C25H25N3O4S — CID 42396797

IUPAC(E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2OCc2csc(C)n2)ccc1N1CCCC1=O
InChIInChI=1S/C25H25N3O4S/c1-17-26-20(16-33-17)15-32-22-7-4-3-6-18(22)9-12-24(29)27-19-10-11-21(23(14-19)31-2)28-13-5-8-25(28)30/h3-4,6-7,9-12,14,16H,5,8,13,15H2,1-2H3,(H,27,29)/b12-9+
InChIKeyFKENGFBGRFIAGP-FMIVXFBMSA-N
MW463.56 g/mol
LogP4.82
Rot. Bonds8

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

(E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 42396797) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
PubChem CID42396797
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name(E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2OCc2csc(C)n2)ccc1N1CCCC1=O
InChIInChI=1S/C25H25N3O4S/c1-17-26-20(16-33-17)15-32-22-7-4-3-6-18(22)9-12-24(29)27-19-10-11-21(23(14-19)31-2)28-13-5-8-25(28)30/h3-4,6-7,9-12,14,16H,5,8,13,15H2,1-2H3,(H,27,29)/b12-9+
InChIKeyFKENGFBGRFIAGP-FMIVXFBMSA-N
XLogP4.82
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.82
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)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 51317965
(E)-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24600293
(E)-N-(4-methylsulfonylphenyl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 43039021
3-[[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614229
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 16598565
3-[[(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]-4-piperidin-1-ylbenzamide
CID 24675985
(E)-N-(4-fluoro-2-methylphenyl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24594483
(E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 55514740
1-[[3-[3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 75911702
3-[4-[3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoylamino]phenoxy]propanamide
CID 55727354
(E)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 30861188
(E)-N-[4-(1H-imidazol-2-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 60613133

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide (CID 42396797) is (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccccc2OCc2csc(C)n2)ccc1N1CCCC1=O.
What is the InChIKey of (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
The InChIKey is FKENGFBGRFIAGP-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-17-26-20(16-33-17)15-32-22-7-4-3-6-18(22)9-12-24(29)27-19-10-11-21(23(14-19)31-2)28-13-5-8-25(28)30/h3-4,6-7,9-12,14,16H,5,8,13,15H2,1-2H3,(H,27,29)/b12-9+.
What are the key properties of (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide?
(E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 463.56 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 42396797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).