N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide

C22H24N2O5S — CID 11641262

IUPACN-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(C(=O)NO)CC1
InChIInChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)
InChIKeyPRJCFROAJDAXAD-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.47
Rot. Bonds7

About N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide

N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 11641262) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID11641262
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(C(=O)NO)CC1
InChIInChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)
InChIKeyPRJCFROAJDAXAD-UHFFFAOYSA-N
XLogP2.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.47
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide (CID 11641262) is N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(C(=O)NO)CC1.
What is the InChIKey of N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is PRJCFROAJDAXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25).
What are the key properties of N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide?
N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 11641262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).