N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide

C17H19NO4S — CID 56950327

IUPACN-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide
SMILESCS(=O)(=O)C(CCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H19NO4S/c1-23(21,22)16(17(19)18-20)12-9-13-7-10-15(11-8-13)14-5-3-2-4-6-14/h2-8,10-11,16,20H,9,12H2,1H3,(H,18,19)
InChIKeyYDXMTRBRIVQRFA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.20
Rot. Bonds6

About N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide

N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide (PubChem CID 56950327) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide
PubChem CID56950327
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide
SMILESCS(=O)(=O)C(CCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H19NO4S/c1-23(21,22)16(17(19)18-20)12-9-13-7-10-15(11-8-13)14-5-3-2-4-6-14/h2-8,10-11,16,20H,9,12H2,1H3,(H,18,19)
InChIKeyYDXMTRBRIVQRFA-UHFFFAOYSA-N
XLogP2.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylsulfonyl-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide (CID 56950327) is N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide is CS(=O)(=O)C(CCc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide?
The InChIKey is YDXMTRBRIVQRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-23(21,22)16(17(19)18-20)12-9-13-7-10-15(11-8-13)14-5-3-2-4-6-14/h2-8,10-11,16,20H,9,12H2,1H3,(H,18,19).
What are the key properties of N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide?
N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide has a molecular weight of 333.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 56950327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).