(2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide

C19H22N2O6S2 — CID 155522947

IUPAC(2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(C)(O)C#CC#Cc1cc2c(s1)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C2
InChIInChI=1S/C19H22N2O6S2/c1-18(2,24)8-6-5-7-14-11-13-12-21(16(22)15(13)28-14)10-9-19(3,17(23)20-25)29(4,26)27/h11,24-25H,9-10,12H2,1-4H3,(H,20,23)/t19-/m1/s1
InChIKeyNAHHEYFDXNUHIZ-LJQANCHMSA-N
MW438.53 g/mol
LogP0.53
Rot. Bonds5

About (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide

(2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 155522947) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID155522947
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name(2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(C)(O)C#CC#Cc1cc2c(s1)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C2
InChIInChI=1S/C19H22N2O6S2/c1-18(2,24)8-6-5-7-14-11-13-12-21(16(22)15(13)28-14)10-9-19(3,17(23)20-25)29(4,26)27/h11,24-25H,9-10,12H2,1-4H3,(H,20,23)/t19-/m1/s1
InChIKeyNAHHEYFDXNUHIZ-LJQANCHMSA-N
XLogP0.53
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide (CID 155522947) is (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide is CC(C)(O)C#CC#Cc1cc2c(s1)C(=O)N(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C2.
What is the InChIKey of (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is NAHHEYFDXNUHIZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-18(2,24)8-6-5-7-14-11-13-12-21(16(22)15(13)28-14)10-9-19(3,17(23)20-25)29(4,26)27/h11,24-25H,9-10,12H2,1-4H3,(H,20,23)/t19-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 438.53 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[2-(5-hydroxy-5-methylhexa-1,3-diynyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 155522947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).