(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide

C14H18N4O4S — CID 66559223

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide
SMILESC[C@@](CCn1cc(-c2ccccc2)nn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C14H18N4O4S/c1-14(13(19)16-20,23(2,21)22)8-9-18-10-12(15-17-18)11-6-4-3-5-7-11/h3-7,10,20H,8-9H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyYIVYYAFOIOZMKJ-CQSZACIVSA-N
MW338.39 g/mol
LogP0.64
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide (PubChem CID 66559223) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide
PubChem CID66559223
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide
SMILESC[C@@](CCn1cc(-c2ccccc2)nn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C14H18N4O4S/c1-14(13(19)16-20,23(2,21)22)8-9-18-10-12(15-17-18)11-6-4-3-5-7-11/h3-7,10,20H,8-9H2,1-2H3,(H,16,19)/t14-/m1/s1
InChIKeyYIVYYAFOIOZMKJ-CQSZACIVSA-N
XLogP0.64
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide (CID 66559223) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide is C[C@@](CCn1cc(-c2ccccc2)nn1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide?
The InChIKey is YIVYYAFOIOZMKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-14(13(19)16-20,23(2,21)22)8-9-18-10-12(15-17-18)11-6-4-3-5-7-11/h3-7,10,20H,8-9H2,1-2H3,(H,16,19)/t14-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide has a molecular weight of 338.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide is sourced from PubChem (CID 66559223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).