N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide

C21H20N2O6S — CID 146310484

IUPACN-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)N(O)c1ccc(OC)c(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C21H20N2O6S/c1-3-18(25)23(26)13-4-5-17(27-2)14(10-13)15-12-30-21-16(24)11-19(29-20(15)21)22-6-8-28-9-7-22/h3-5,10-12,26H,1,6-9H2,2H3
InChIKeyHRNKGGFYABPVSM-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.27
Rot. Bonds5

About N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide

N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide (PubChem CID 146310484) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide
PubChem CID146310484
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC NameN-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)N(O)c1ccc(OC)c(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C21H20N2O6S/c1-3-18(25)23(26)13-4-5-17(27-2)14(10-13)15-12-30-21-16(24)11-19(29-20(15)21)22-6-8-28-9-7-22/h3-5,10-12,26H,1,6-9H2,2H3
InChIKeyHRNKGGFYABPVSM-UHFFFAOYSA-N
XLogP3.27
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
CID 157029185
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
5-morpholin-4-yl-3-(4-prop-2-enoyl-2,3-dihydro-1H-quinoxalin-6-yl)thieno[3,2-b]pyran-7-one
CID 146320011
ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
CID 142505751
3-(4-ethenylsulfonyl-5-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319911
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
5-morpholin-4-yl-3-(5-prop-2-enoyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-yl)thieno[3,2-b]pyran-7-one
CID 146320012
3-(4-ethenylsulfanyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397315
3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307
5-morpholin-4-yl-3-(4-prop-2-enyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)thieno[3,2-b]pyran-7-one
CID 153397302
N-[4-fluoro-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]but-2-ynamide
CID 146319971

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide?
The IUPAC name of N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide (CID 146310484) is N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide is C=CC(=O)N(O)c1ccc(OC)c(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.
What is the InChIKey of N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide?
The InChIKey is HRNKGGFYABPVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-3-18(25)23(26)13-4-5-17(27-2)14(10-13)15-12-30-21-16(24)11-19(29-20(15)21)22-6-8-28-9-7-22/h3-5,10-12,26H,1,6-9H2,2H3.
What are the key properties of N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide?
N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide has a molecular weight of 428.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 146310484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).