N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide

C23H25N3O3S — CID 162395259

IUPACN-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(SCCCCCC(=O)NO)n2)cc1
InChIInChI=1S/C23H25N3O3S/c1-29-19-13-11-18(12-14-19)21-16-20(17-8-4-2-5-9-17)24-23(25-21)30-15-7-3-6-10-22(27)26-28/h2,4-5,8-9,11-14,16,28H,3,6-7,10,15H2,1H3,(H,26,27)
InChIKeyPJFVFQJRSSPLRB-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.98
Rot. Bonds10

About N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide

N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide (PubChem CID 162395259) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide
PubChem CID162395259
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(SCCCCCC(=O)NO)n2)cc1
InChIInChI=1S/C23H25N3O3S/c1-29-19-13-11-18(12-14-19)21-16-20(17-8-4-2-5-9-17)24-23(25-21)30-15-7-3-6-10-22(27)26-28/h2,4-5,8-9,11-14,16,28H,3,6-7,10,15H2,1H3,(H,26,27)
InChIKeyPJFVFQJRSSPLRB-UHFFFAOYSA-N
XLogP4.98
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide?
The IUPAC name of N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide (CID 162395259) is N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide.
What is the SMILES notation for N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide?
The canonical SMILES for N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide is COc1ccc(-c2cc(-c3ccccc3)nc(SCCCCCC(=O)NO)n2)cc1.
What is the InChIKey of N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide?
The InChIKey is PJFVFQJRSSPLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-29-19-13-11-18(12-14-19)21-16-20(17-8-4-2-5-9-17)24-23(25-21)30-15-7-3-6-10-22(27)26-28/h2,4-5,8-9,11-14,16,28H,3,6-7,10,15H2,1H3,(H,26,27).
What are the key properties of N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide?
N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide has a molecular weight of 423.54 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylhexanamide is sourced from PubChem (CID 162395259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).