2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide

C17H19NO5S — CID 54254517

IUPAC2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide
SMILESCC#CCC(CC#CC)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S/c1-4-6-12-17(13-7-5-2,16(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,20H,12-13H2,1-3H3,(H,18,19)
InChIKeyQZBHSTFXNXNMBI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.54
Rot. Bonds6

About 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide

2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide (PubChem CID 54254517) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide.

Molecular Properties

Compound Name2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide
PubChem CID54254517
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide
SMILESCC#CCC(CC#CC)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S/c1-4-6-12-17(13-7-5-2,16(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,20H,12-13H2,1-3H3,(H,18,19)
InChIKeyQZBHSTFXNXNMBI-UHFFFAOYSA-N
XLogP1.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide
CID 10113667
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
CID 10135613
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methylpropanoate
CID 58198436
3-[(4-methoxyphenyl)sulfonylamino]oxy-3-oxopropanoic acid
CID 150735824
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
2-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-amine
CID 115045053
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
CID 10948439
2-amino-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-6-phenylhex-4-ynoic acid
CID 70127812
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide?
The IUPAC name of 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide (CID 54254517) is 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide.
What is the SMILES notation for 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide?
The canonical SMILES for 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide is CC#CCC(CC#CC)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide?
The InChIKey is QZBHSTFXNXNMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-4-6-12-17(13-7-5-2,16(19)18-20)24(21,22)15-10-8-14(23-3)9-11-15/h8-11,20H,12-13H2,1-3H3,(H,18,19).
What are the key properties of 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide?
2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide has a molecular weight of 349.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynyl-N-hydroxy-2-(4-methoxyphenyl)sulfonylhex-4-ynamide is sourced from PubChem (CID 54254517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).