7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide

C23H25N3O2S — CID 162394736

IUPAC7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide
SMILESO=C(CCCCCCSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)NO
InChIInChI=1S/C23H25N3O2S/c27-22(26-28)15-9-1-2-10-16-29-23-24-20(18-11-5-3-6-12-18)17-21(25-23)19-13-7-4-8-14-19/h3-8,11-14,17,28H,1-2,9-10,15-16H2,(H,26,27)
InChIKeyYWQVUAJXILHKOJ-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.36
Rot. Bonds10

About 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide

7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide (PubChem CID 162394736) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide
PubChem CID162394736
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide
SMILESO=C(CCCCCCSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)NO
InChIInChI=1S/C23H25N3O2S/c27-22(26-28)15-9-1-2-10-16-29-23-24-20(18-11-5-3-6-12-18)17-21(25-23)19-13-7-4-8-14-19/h3-8,11-14,17,28H,1-2,9-10,15-16H2,(H,26,27)
InChIKeyYWQVUAJXILHKOJ-UHFFFAOYSA-N
XLogP5.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

6-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-N-hydroxyhexanamide
CID 162395756
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide
CID 74763669
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 3640790
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 40560476
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
N-(4-bromo-2-fluorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 4318099
4-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxybutanamide
CID 165347848
N-hydroxy-4,6-diphenylpyrimidine-2-carboxamide
CID 164614577
2-[2-(carboxymethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylacetic acid
CID 2772554
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 3256970

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide?
The IUPAC name of 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide (CID 162394736) is 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide.
What is the SMILES notation for 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide?
The canonical SMILES for 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide is O=C(CCCCCCSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)NO.
What is the InChIKey of 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide?
The InChIKey is YWQVUAJXILHKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-22(26-28)15-9-1-2-10-16-29-23-24-20(18-11-5-3-6-12-18)17-21(25-23)19-13-7-4-8-14-19/h3-8,11-14,17,28H,1-2,9-10,15-16H2,(H,26,27).
What are the key properties of 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide?
7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide has a molecular weight of 407.54 g/mol, XLogP of 5.36, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide is sourced from PubChem (CID 162394736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).