N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide

C19H23NO5S — CID 56951004

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide
SMILESCC(CCc1ccc(OCc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H23NO5S/c1-19(18(21)20-22,26(2,23)24)13-12-15-8-10-17(11-9-15)25-14-16-6-4-3-5-7-16/h3-11,22H,12-14H2,1-2H3,(H,20,21)
InChIKeyCSZBEOMPZMRAKF-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.51
Rot. Bonds8

About N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide (PubChem CID 56951004) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide
PubChem CID56951004
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide
SMILESCC(CCc1ccc(OCc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H23NO5S/c1-19(18(21)20-22,26(2,23)24)13-12-15-8-10-17(11-9-15)25-14-16-6-4-3-5-7-16/h3-11,22H,12-14H2,1-2H3,(H,20,21)
InChIKeyCSZBEOMPZMRAKF-UHFFFAOYSA-N
XLogP2.51
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.51
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-4-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide (CID 56951004) is N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide is CC(CCc1ccc(OCc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is CSZBEOMPZMRAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-19(18(21)20-22,26(2,23)24)13-12-15-8-10-17(11-9-15)25-14-16-6-4-3-5-7-16/h3-11,22H,12-14H2,1-2H3,(H,20,21).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 377.46 g/mol, XLogP of 2.51, 8 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-4-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 56951004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).