N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide

C14H18N4O4S — CID 71458748

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide
SMILESCC(CCc1nc(-c2ccccc2)n[nH]1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C14H18N4O4S/c1-14(13(19)18-20,23(2,21)22)9-8-11-15-12(17-16-11)10-6-4-3-5-7-10/h3-7,20H,8-9H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyIHXXBLQXHJHYKZ-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.71
Rot. Bonds6

About N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 71458748) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide
PubChem CID71458748
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide
SMILESCC(CCc1nc(-c2ccccc2)n[nH]1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C14H18N4O4S/c1-14(13(19)18-20,23(2,21)22)9-8-11-15-12(17-16-11)10-6-4-3-5-7-10/h3-7,20H,8-9H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyIHXXBLQXHJHYKZ-UHFFFAOYSA-N
XLogP0.71
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide (CID 71458748) is N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide is CC(CCc1nc(-c2ccccc2)n[nH]1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is IHXXBLQXHJHYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-14(13(19)18-20,23(2,21)22)9-8-11-15-12(17-16-11)10-6-4-3-5-7-10/h3-7,20H,8-9H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 338.39 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 71458748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).