(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide

C18H21NO4S2 — CID 56951133

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide
SMILESC[C@@](CCc1ccc(Sc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H21NO4S2/c1-18(17(20)19-21,25(2,22)23)13-12-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
InChIKeyCWUXMNDZRICHTN-GOSISDBHSA-N
MW379.50 g/mol
LogP3.08
Rot. Bonds7

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide (PubChem CID 56951133) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide
PubChem CID56951133
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide
SMILESC[C@@](CCc1ccc(Sc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H21NO4S2/c1-18(17(20)19-21,25(2,22)23)13-12-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
InChIKeyCWUXMNDZRICHTN-GOSISDBHSA-N
XLogP3.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.08
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 (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide (CID 56951133) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide is C[C@@](CCc1ccc(Sc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide?
The InChIKey is CWUXMNDZRICHTN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-18(17(20)19-21,25(2,22)23)13-12-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide has a molecular weight of 379.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide is sourced from PubChem (CID 56951133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).