(2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H25NO4S — CID 56950601

IUPAC(2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCCc1ccccc1-c1ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25NO4S/c1-4-16-7-5-6-8-18(16)17-11-9-15(10-12-17)13-14-20(2,19(22)21-23)26(3,24)25/h5-12,23H,4,13-14H2,1-3H3,(H,21,22)/t20-/m1/s1
InChIKeyCSKIDMXWGMWUQK-HXUWFJFHSA-N
MW375.49 g/mol
LogP3.16
Rot. Bonds7

About (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 56950601) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID56950601
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name(2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCCc1ccccc1-c1ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25NO4S/c1-4-16-7-5-6-8-18(16)17-11-9-15(10-12-17)13-14-20(2,19(22)21-23)26(3,24)25/h5-12,23H,4,13-14H2,1-3H3,(H,21,22)/t20-/m1/s1
InChIKeyCSKIDMXWGMWUQK-HXUWFJFHSA-N
XLogP3.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.16
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 (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 56950601) is (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CCc1ccccc1-c1ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CSKIDMXWGMWUQK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-4-16-7-5-6-8-18(16)17-11-9-15(10-12-17)13-14-20(2,19(22)21-23)26(3,24)25/h5-12,23H,4,13-14H2,1-3H3,(H,21,22)/t20-/m1/s1.
What are the key properties of (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 375.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(2-ethylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 56950601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).