(2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide

C19H19NO5S — CID 54181369

IUPAC(2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide
SMILESCC#CCOc1ccc(S(=O)[C@@H](C(=O)NO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO5S/c1-3-4-13-25-16-9-11-17(12-10-16)26(23)18(19(21)20-22)14-5-7-15(24-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)/t18-,26?/m1/s1
InChIKeyPCASIOOVBSODBH-QOBPCVTDSA-N
MW373.43 g/mol
LogP2.45
Rot. Bonds7

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

(2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide (PubChem CID 54181369) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide
PubChem CID54181369
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name(2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide
SMILESCC#CCOc1ccc(S(=O)[C@@H](C(=O)NO)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO5S/c1-3-4-13-25-16-9-11-17(12-10-16)26(23)18(19(21)20-22)14-5-7-15(24-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)/t18-,26?/m1/s1
InChIKeyPCASIOOVBSODBH-QOBPCVTDSA-N
XLogP2.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide?
The IUPAC name of (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide (CID 54181369) is (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide is CC#CCOc1ccc(S(=O)[C@@H](C(=O)NO)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide?
The InChIKey is PCASIOOVBSODBH-QOBPCVTDSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-3-4-13-25-16-9-11-17(12-10-16)26(23)18(19(21)20-22)14-5-7-15(24-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)/t18-,26?/m1/s1.
What are the key properties of (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide?
(2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-but-2-ynoxyphenyl)sulfinyl-N-hydroxy-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 54181369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).