4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide

C17H23N3O4S — CID 24860422

IUPAC4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide
SMILESCC#CCNc1ccc(S(=O)(=O)CC2(C(=O)NO)CCNCC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-2-3-10-19-14-4-6-15(7-5-14)25(23,24)13-17(16(21)20-22)8-11-18-12-9-17/h4-7,18-19,22H,8-13H2,1H3,(H,20,21)
InChIKeyCEVWXUVNZJTNNB-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.77
Rot. Bonds6

About 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide

4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide (PubChem CID 24860422) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide
PubChem CID24860422
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide
SMILESCC#CCNc1ccc(S(=O)(=O)CC2(C(=O)NO)CCNCC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-2-3-10-19-14-4-6-15(7-5-14)25(23,24)13-17(16(21)20-22)8-11-18-12-9-17/h4-7,18-19,22H,8-13H2,1H3,(H,20,21)
InChIKeyCEVWXUVNZJTNNB-UHFFFAOYSA-N
XLogP0.77
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.77
H-Bond Donors ≤ 54
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 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide (CID 24860422) is 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide is CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)NO)CCNCC2)cc1.
What is the InChIKey of 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide?
The InChIKey is CEVWXUVNZJTNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-2-3-10-19-14-4-6-15(7-5-14)25(23,24)13-17(16(21)20-22)8-11-18-12-9-17/h4-7,18-19,22H,8-13H2,1H3,(H,20,21).
What are the key properties of 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide?
4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 0.77, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 24860422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).