6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide

C23H25N3O3S — CID 135541971

IUPAC6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide
SMILESO=C(CCCCCSc1nc(C(c2ccccc2)c2ccccc2)cc(=O)[nH]1)NO
InChIInChI=1S/C23H25N3O3S/c27-20(26-29)14-8-3-9-15-30-23-24-19(16-21(28)25-23)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,22,29H,3,8-9,14-15H2,(H,26,27)(H,24,25,28)
InChIKeyZMIRRXWAPLJEMZ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.11
Rot. Bonds10

About 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide

6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide (PubChem CID 135541971) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide
PubChem CID135541971
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide
SMILESO=C(CCCCCSc1nc(C(c2ccccc2)c2ccccc2)cc(=O)[nH]1)NO
InChIInChI=1S/C23H25N3O3S/c27-20(26-29)14-8-3-9-15-30-23-24-19(16-21(28)25-23)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,22,29H,3,8-9,14-15H2,(H,26,27)(H,24,25,28)
InChIKeyZMIRRXWAPLJEMZ-UHFFFAOYSA-N
XLogP4.11
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.11
H-Bond Donors ≤ 53
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'}

Analyze 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide?
The IUPAC name of 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide (CID 135541971) is 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide is O=C(CCCCCSc1nc(C(c2ccccc2)c2ccccc2)cc(=O)[nH]1)NO.
What is the InChIKey of 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide?
The InChIKey is ZMIRRXWAPLJEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-20(26-29)14-8-3-9-15-30-23-24-19(16-21(28)25-23)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,22,29H,3,8-9,14-15H2,(H,26,27)(H,24,25,28).
What are the key properties of 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide?
6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide has a molecular weight of 423.54 g/mol, XLogP of 4.11, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzhydryl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-hydroxyhexanamide is sourced from PubChem (CID 135541971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).