N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide

C22H26N4O4S — CID 73055007

IUPACN-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide
SMILESO=C(CCCCCOc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1)NO
InChIInChI=1S/C22H26N4O4S/c27-19(25-28)7-2-1-3-11-30-17-6-4-5-16(15-17)21-23-18-8-14-31-20(18)22(24-21)26-9-12-29-13-10-26/h4-6,8,14-15,28H,1-3,7,9-13H2,(H,25,27)
InChIKeyNTQRWNPYGWNJTD-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.64
Rot. Bonds9

About N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide

N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide (PubChem CID 73055007) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide
PubChem CID73055007
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide
SMILESO=C(CCCCCOc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1)NO
InChIInChI=1S/C22H26N4O4S/c27-19(25-28)7-2-1-3-11-30-17-6-4-5-16(15-17)21-23-18-8-14-31-20(18)22(24-21)26-9-12-29-13-10-26/h4-6,8,14-15,28H,1-3,7,9-13H2,(H,25,27)
InChIKeyNTQRWNPYGWNJTD-UHFFFAOYSA-N
XLogP3.64
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.64
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-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide?
The IUPAC name of N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide (CID 73055007) is N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide.
What is the SMILES notation for N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide?
The canonical SMILES for N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide is O=C(CCCCCOc1cccc(-c2nc(N3CCOCC3)c3sccc3n2)c1)NO.
What is the InChIKey of N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide?
The InChIKey is NTQRWNPYGWNJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c27-19(25-28)7-2-1-3-11-30-17-6-4-5-16(15-17)21-23-18-8-14-31-20(18)22(24-21)26-9-12-29-13-10-26/h4-6,8,14-15,28H,1-3,7,9-13H2,(H,25,27).
What are the key properties of N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide?
N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide has a molecular weight of 442.54 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenoxy]hexanamide is sourced from PubChem (CID 73055007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).