(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide

C21H27NO4S — CID 56950604

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide
SMILESCC(C)c1cccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C21H27NO4S/c1-15(2)18-6-5-7-19(14-18)17-10-8-16(9-11-17)12-13-21(3,20(23)22-24)27(4,25)26/h5-11,14-15,24H,12-13H2,1-4H3,(H,22,23)/t21-/m1/s1
InChIKeyBBIDYPTUWKBMPR-OAQYLSRUSA-N
MW389.52 g/mol
LogP3.72
Rot. Bonds7

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide (PubChem CID 56950604) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide
PubChem CID56950604
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide
SMILESCC(C)c1cccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C21H27NO4S/c1-15(2)18-6-5-7-19(14-18)17-10-8-16(9-11-17)12-13-21(3,20(23)22-24)27(4,25)26/h5-11,14-15,24H,12-13H2,1-4H3,(H,22,23)/t21-/m1/s1
InChIKeyBBIDYPTUWKBMPR-OAQYLSRUSA-N
XLogP3.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.72
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'}

Analyze (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide (CID 56950604) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide is CC(C)c1cccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)c1.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide?
The InChIKey is BBIDYPTUWKBMPR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-15(2)18-6-5-7-19(14-18)17-10-8-16(9-11-17)12-13-21(3,20(23)22-24)27(4,25)26/h5-11,14-15,24H,12-13H2,1-4H3,(H,22,23)/t21-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide has a molecular weight of 389.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-propan-2-ylphenyl)phenyl]butanamide is sourced from PubChem (CID 56950604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).