N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide

C22H30N4O5S — CID 87917025

IUPACN-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide
SMILESO=C(CS(=O)(=O)N1CCC(OCc2ccccc2)CC1)N(O)CCCCc1ncccn1
InChIInChI=1S/C22H30N4O5S/c27-22(26(28)14-5-4-9-21-23-12-6-13-24-21)18-32(29,30)25-15-10-20(11-16-25)31-17-19-7-2-1-3-8-19/h1-3,6-8,12-13,20,28H,4-5,9-11,14-18H2
InChIKeyNRORPSOYFGIXOJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.03
Rot. Bonds11

About N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide

N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide (PubChem CID 87917025) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide
PubChem CID87917025
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC NameN-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide
SMILESO=C(CS(=O)(=O)N1CCC(OCc2ccccc2)CC1)N(O)CCCCc1ncccn1
InChIInChI=1S/C22H30N4O5S/c27-22(26(28)14-5-4-9-21-23-12-6-13-24-21)18-32(29,30)25-15-10-20(11-16-25)31-17-19-7-2-1-3-8-19/h1-3,6-8,12-13,20,28H,4-5,9-11,14-18H2
InChIKeyNRORPSOYFGIXOJ-UHFFFAOYSA-N
XLogP2.03
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide?
The IUPAC name of N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide (CID 87917025) is N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide.
What is the SMILES notation for N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide?
The canonical SMILES for N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide is O=C(CS(=O)(=O)N1CCC(OCc2ccccc2)CC1)N(O)CCCCc1ncccn1.
What is the InChIKey of N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide?
The InChIKey is NRORPSOYFGIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c27-22(26(28)14-5-4-9-21-23-12-6-13-24-21)18-32(29,30)25-15-10-20(11-16-25)31-17-19-7-2-1-3-8-19/h1-3,6-8,12-13,20,28H,4-5,9-11,14-18H2.
What are the key properties of N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide?
N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide has a molecular weight of 462.57 g/mol, XLogP of 2.03, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)sulfonyl-N-(4-pyrimidin-2-ylbutyl)acetamide is sourced from PubChem (CID 87917025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).