N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide

C22H28N2O5S — CID 51355582

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide
SMILESCC(CCc1ccc(-c2ccc(N3CCOCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H28N2O5S/c1-22(21(25)23-26,30(2,27)28)12-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)24-13-15-29-16-14-24/h3-10,26H,11-16H2,1-2H3,(H,23,25)
InChIKeyYUWRBPFEKGTUCK-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.43
Rot. Bonds7

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide (PubChem CID 51355582) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide
PubChem CID51355582
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide
SMILESCC(CCc1ccc(-c2ccc(N3CCOCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H28N2O5S/c1-22(21(25)23-26,30(2,27)28)12-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)24-13-15-29-16-14-24/h3-10,26H,11-16H2,1-2H3,(H,23,25)
InChIKeyYUWRBPFEKGTUCK-UHFFFAOYSA-N
XLogP2.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-morpholin-4-ylphenyl)phenyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide (CID 51355582) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide is CC(CCc1ccc(-c2ccc(N3CCOCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide?
The InChIKey is YUWRBPFEKGTUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-22(21(25)23-26,30(2,27)28)12-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)24-13-15-29-16-14-24/h3-10,26H,11-16H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide has a molecular weight of 432.54 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide is sourced from PubChem (CID 51355582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).