2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide

C19H19NO6S — CID 11188429

IUPAC2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide
SMILESCC#CCOc1ccc(S(=O)(=O)C(C(=O)NO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO6S/c1-3-4-13-26-16-9-11-17(12-10-16)27(23,24)18(19(21)20-22)14-5-7-15(25-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)
InChIKeyNOIOOWNKXMUESY-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.12
Rot. Bonds7

About 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide

2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide (PubChem CID 11188429) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide
PubChem CID11188429
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide
SMILESCC#CCOc1ccc(S(=O)(=O)C(C(=O)NO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO6S/c1-3-4-13-26-16-9-11-17(12-10-16)27(23,24)18(19(21)20-22)14-5-7-15(25-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)
InChIKeyNOIOOWNKXMUESY-UHFFFAOYSA-N
XLogP2.12
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.12
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 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide (CID 11188429) is 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide is CC#CCOc1ccc(S(=O)(=O)C(C(=O)NO)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide?
The InChIKey is NOIOOWNKXMUESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-3-4-13-26-16-9-11-17(12-10-16)27(23,24)18(19(21)20-22)14-5-7-15(25-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide?
2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 11188429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).