N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide

C24H27N3O3S — CID 162534098

IUPACN-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(SCCCCCCC(=O)NO)n2)cc1
InChIInChI=1S/C24H27N3O3S/c1-30-20-14-12-19(13-15-20)22-17-21(18-9-5-4-6-10-18)25-24(26-22)31-16-8-3-2-7-11-23(28)27-29/h4-6,9-10,12-15,17,29H,2-3,7-8,11,16H2,1H3,(H,27,28)
InChIKeyMGMVXNNPBWJXGT-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.37
Rot. Bonds11

About N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide

N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide (PubChem CID 162534098) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide
PubChem CID162534098
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(SCCCCCCC(=O)NO)n2)cc1
InChIInChI=1S/C24H27N3O3S/c1-30-20-14-12-19(13-15-20)22-17-21(18-9-5-4-6-10-18)25-24(26-22)31-16-8-3-2-7-11-23(28)27-29/h4-6,9-10,12-15,17,29H,2-3,7-8,11,16H2,1H3,(H,27,28)
InChIKeyMGMVXNNPBWJXGT-UHFFFAOYSA-N
XLogP5.37
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.37
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-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide?
The IUPAC name of N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide (CID 162534098) is N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide.
What is the SMILES notation for N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide?
The canonical SMILES for N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide is COc1ccc(-c2cc(-c3ccccc3)nc(SCCCCCCC(=O)NO)n2)cc1.
What is the InChIKey of N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide?
The InChIKey is MGMVXNNPBWJXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-30-20-14-12-19(13-15-20)22-17-21(18-9-5-4-6-10-18)25-24(26-22)31-16-8-3-2-7-11-23(28)27-29/h4-6,9-10,12-15,17,29H,2-3,7-8,11,16H2,1H3,(H,27,28).
What are the key properties of N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide?
N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide has a molecular weight of 437.57 g/mol, XLogP of 5.37, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]sulfanylheptanamide is sourced from PubChem (CID 162534098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).