(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide

C25H34N2O6S — CID 54754548

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide
SMILESC[C@@](CCc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C25H34N2O6S/c1-25(24(28)26-29,34(2,30)31)13-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)33-17-3-14-27-15-18-32-19-16-27/h4-11,29H,3,12-19H2,1-2H3,(H,26,28)/t25-/m1/s1
InChIKeyGGIDQMXKOSYOHO-RUZDIDTESA-N
MW490.62 g/mol
LogP2.70
Rot. Bonds11

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

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide (PubChem CID 54754548) has the molecular formula C25H34N2O6S and a molecular weight of 490.62 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide
PubChem CID54754548
Molecular FormulaC25H34N2O6S
Molecular Weight490.62 g/mol
Exact Mass490.21
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide
SMILESC[C@@](CCc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C25H34N2O6S/c1-25(24(28)26-29,34(2,30)31)13-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)33-17-3-14-27-15-18-32-19-16-27/h4-11,29H,3,12-19H2,1-2H3,(H,26,28)/t25-/m1/s1
InChIKeyGGIDQMXKOSYOHO-RUZDIDTESA-N
XLogP2.70
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide (CID 54754548) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide is C[C@@](CCc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide?
The InChIKey is GGIDQMXKOSYOHO-RUZDIDTESA-N. The full InChI is InChI=1S/C25H34N2O6S/c1-25(24(28)26-29,34(2,30)31)13-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)33-17-3-14-27-15-18-32-19-16-27/h4-11,29H,3,12-19H2,1-2H3,(H,26,28)/t25-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide has a molecular weight of 490.62 g/mol, XLogP of 2.70, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]butanamide is sourced from PubChem (CID 54754548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).