N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide

C24H30N4O4S — CID 73055010

IUPACN-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide
SMILESO=C(CCCCCCCOc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1)NO
InChIInChI=1S/C24H30N4O4S/c29-21(27-30)6-4-2-1-3-5-14-32-19-9-7-18(8-10-19)23-25-20-11-17-33-22(20)24(26-23)28-12-15-31-16-13-28/h7-11,17,30H,1-6,12-16H2,(H,27,29)
InChIKeyREWDEMFTJVFGLJ-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.42
Rot. Bonds11

About N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide

N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide (PubChem CID 73055010) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide.

Molecular Properties

Compound NameN-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide
PubChem CID73055010
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide
SMILESO=C(CCCCCCCOc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1)NO
InChIInChI=1S/C24H30N4O4S/c29-21(27-30)6-4-2-1-3-5-14-32-19-9-7-18(8-10-19)23-25-20-11-17-33-22(20)24(26-23)28-12-15-31-16-13-28/h7-11,17,30H,1-6,12-16H2,(H,27,29)
InChIKeyREWDEMFTJVFGLJ-UHFFFAOYSA-N
XLogP4.42
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide?
The IUPAC name of N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide (CID 73055010) is N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide.
What is the SMILES notation for N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide?
The canonical SMILES for N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide is O=C(CCCCCCCOc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1)NO.
What is the InChIKey of N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide?
The InChIKey is REWDEMFTJVFGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c29-21(27-30)6-4-2-1-3-5-14-32-19-9-7-18(8-10-19)23-25-20-11-17-33-22(20)24(26-23)28-12-15-31-16-13-28/h7-11,17,30H,1-6,12-16H2,(H,27,29).
What are the key properties of N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide?
N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide has a molecular weight of 470.60 g/mol, XLogP of 4.42, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[4-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]octanamide is sourced from PubChem (CID 73055010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).