N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide

C17H19NO4S2 — CID 56950466

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide
SMILESCC(CSc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19NO4S2/c1-17(16(19)18-20,24(2,21)22)12-23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyVVCPTCGTOYARNF-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.75
Rot. Bonds6

About N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide

N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide (PubChem CID 56950466) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide
PubChem CID56950466
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide
SMILESCC(CSc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19NO4S2/c1-17(16(19)18-20,24(2,21)22)12-23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyVVCPTCGTOYARNF-UHFFFAOYSA-N
XLogP2.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-(4-phenylphenyl)sulfanylpropanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide (CID 56950466) is N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide is CC(CSc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide?
The InChIKey is VVCPTCGTOYARNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-17(16(19)18-20,24(2,21)22)12-23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide is sourced from PubChem (CID 56950466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).