(2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide

C19H21N3O6S2 — CID 90116412

IUPAC(2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
SMILESCn1c(=O)sc2cc(-c3ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc21
InChIInChI=1S/C19H21N3O6S2/c1-19(17(24)20-26,30(3,27)28)7-9-22-8-6-13(11-16(22)23)12-4-5-14-15(10-12)29-18(25)21(14)2/h4-6,8,10-11,26H,7,9H2,1-3H3,(H,20,24)/t19-/m1/s1
InChIKeyBHZOXKZOBYJMLW-LJQANCHMSA-N
MW451.53 g/mol
LogP1.13
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide

(2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide (PubChem CID 90116412) has the molecular formula C19H21N3O6S2 and a molecular weight of 451.53 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
PubChem CID90116412
Molecular FormulaC19H21N3O6S2
Molecular Weight451.53 g/mol
Exact Mass451.09
IUPAC Name(2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
SMILESCn1c(=O)sc2cc(-c3ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc21
InChIInChI=1S/C19H21N3O6S2/c1-19(17(24)20-26,30(3,27)28)7-9-22-8-6-13(11-16(22)23)12-4-5-14-15(10-12)29-18(25)21(14)2/h4-6,8,10-11,26H,7,9H2,1-3H3,(H,20,24)/t19-/m1/s1
InChIKeyBHZOXKZOBYJMLW-LJQANCHMSA-N
XLogP1.13
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide (CID 90116412) is (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide is Cn1c(=O)sc2cc(-c3ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c3)ccc21.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
The InChIKey is BHZOXKZOBYJMLW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N3O6S2/c1-19(17(24)20-26,30(3,27)28)7-9-22-8-6-13(11-16(22)23)12-4-5-14-15(10-12)29-18(25)21(14)2/h4-6,8,10-11,26H,7,9H2,1-3H3,(H,20,24)/t19-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide has a molecular weight of 451.53 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).