N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide

C19H23NO4S — CID 90684291

IUPACN-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide
SMILESCc1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)ccc1-c1ccccc1
InChIInChI=1S/C19H23NO4S/c1-14-13-15(9-10-17(14)16-7-5-4-6-8-16)11-12-19(2,18(21)20-22)25(3,23)24/h4-10,13,22H,11-12H2,1-3H3,(H,20,21)
InChIKeySKWVLOBYIHERPE-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.90
Rot. Bonds6

About N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide (PubChem CID 90684291) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide
PubChem CID90684291
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide
SMILESCc1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)ccc1-c1ccccc1
InChIInChI=1S/C19H23NO4S/c1-14-13-15(9-10-17(14)16-7-5-4-6-8-16)11-12-19(2,18(21)20-22)25(3,23)24/h4-10,13,22H,11-12H2,1-3H3,(H,20,21)
InChIKeySKWVLOBYIHERPE-UHFFFAOYSA-N
XLogP2.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.90
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-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide (CID 90684291) is N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide is Cc1cc(CCC(C)(C(=O)NO)S(C)(=O)=O)ccc1-c1ccccc1.
What is the InChIKey of N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide?
The InChIKey is SKWVLOBYIHERPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-13-15(9-10-17(14)16-7-5-4-6-8-16)11-12-19(2,18(21)20-22)25(3,23)24/h4-10,13,22H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide has a molecular weight of 361.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-(3-methyl-4-phenylphenyl)-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).