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

C16H25N3O5S — CID 22907189

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)C(C)C2CCCCN2)cc1
InChIInChI=1S/C16H25N3O5S/c1-12(15-5-3-4-10-17-15)19(11-16(20)18-21)25(22,23)14-8-6-13(24-2)7-9-14/h6-9,12,15,17,21H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyXBRQYQJJOBMRED-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.72
Rot. Bonds7

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

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide (PubChem CID 22907189) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide
PubChem CID22907189
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NO)C(C)C2CCCCN2)cc1
InChIInChI=1S/C16H25N3O5S/c1-12(15-5-3-4-10-17-15)19(11-16(20)18-21)25(22,23)14-8-6-13(24-2)7-9-14/h6-9,12,15,17,21H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyXBRQYQJJOBMRED-UHFFFAOYSA-N
XLogP0.72
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.72
H-Bond Donors ≤ 53
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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Related Compounds

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-pentan-2-ylamino]acetamide
CID 4224
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 71462975
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 10587632
(2R)-2-[2-aminoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 144510795
4-benzylsulfanyl-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxybutanamide
CID 10984597
3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 22612442
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43871755
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543890
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 22121984
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide (CID 22907189) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NO)C(C)C2CCCCN2)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide?
The InChIKey is XBRQYQJJOBMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-12(15-5-3-4-10-17-15)19(11-16(20)18-21)25(22,23)14-8-6-13(24-2)7-9-14/h6-9,12,15,17,21H,3-5,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide has a molecular weight of 371.46 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(1-piperidin-2-ylethyl)amino]acetamide is sourced from PubChem (CID 22907189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).