N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide

C16H25N3O5S — CID 10833044

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(=O)NO)cc1
InChIInChI=1S/C16H25N3O5S/c1-24-14-5-7-15(8-6-14)25(22,23)19(13-16(20)17-21)12-11-18-9-3-2-4-10-18/h5-8,21H,2-4,9-13H2,1H3,(H,17,20)
InChIKeyYEHKZVNFGURGEX-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.68
Rot. Bonds8

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide (PubChem CID 10833044) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide
PubChem CID10833044
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(=O)NO)cc1
InChIInChI=1S/C16H25N3O5S/c1-24-14-5-7-15(8-6-14)25(22,23)19(13-16(20)17-21)12-11-18-9-3-2-4-10-18/h5-8,21H,2-4,9-13H2,1H3,(H,17,20)
InChIKeyYEHKZVNFGURGEX-UHFFFAOYSA-N
XLogP0.68
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide (CID 10833044) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CCN2CCCCC2)CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide?
The InChIKey is YEHKZVNFGURGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-24-14-5-7-15(8-6-14)25(22,23)19(13-16(20)17-21)12-11-18-9-3-2-4-10-18/h5-8,21H,2-4,9-13H2,1H3,(H,17,20).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide has a molecular weight of 371.46 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 10833044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).