N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide

C16H19NO4S2 — CID 90684272

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide
SMILESCC(CCc1ccc(-c2ccsc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C16H19NO4S2/c1-16(15(18)17-19,23(2,20)21)9-7-12-3-5-13(6-4-12)14-8-10-22-11-14/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,18)
InChIKeyGVVNBQBYVWACIP-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.66
Rot. Bonds6

About N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide (PubChem CID 90684272) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide
PubChem CID90684272
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide
SMILESCC(CCc1ccc(-c2ccsc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C16H19NO4S2/c1-16(15(18)17-19,23(2,20)21)9-7-12-3-5-13(6-4-12)14-8-10-22-11-14/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,18)
InChIKeyGVVNBQBYVWACIP-UHFFFAOYSA-N
XLogP2.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.66
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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Related Compounds

N-hydroxy-2-(2-phenylthien-3-yl)acetamide
CID 3786
N-Hydroxy-2-methyl-3-phenyl-2-(thiophene-2-sulfonyl)-propionamide
CID 10914350
Thiophene-2-sulfonic acid [3-(3''-methylsulfanyl-biphenyl-2-yl)-propionyl]-amide
CID 21362867
3-[2-[4-(2-phenylethylsulfanylmethyl)phenyl]phenyl]-N-thiophen-2-ylsulfonylpropanamide
CID 21362900
Thiophene-2-sulfonic acid [4-(4''-phenethylsulfanylmethyl-biphenyl-2-yl)-butyryl]-amide
CID 21362912
(2R)-4-Biphenyl-4-yl-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 51355576
4-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851060
N-hydroxy-2-methyl-4-[4-(3-methylsulfanylphenyl)phenyl]-2-methylsulfonylbutanamide
CID 90684267
N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide
CID 90684270
N-Hydroxy-2-methyl-2-(octane-1-sulfonyl)-3-phenyl-propionamide
CID 11078779
N-hydroxy-2-methylsulfonyl-4-(4-phenylphenyl)butanamide
CID 56950327
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide
CID 56951133

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide (CID 90684272) is N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide is CC(CCc1ccc(-c2ccsc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide?
The InChIKey is GVVNBQBYVWACIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-16(15(18)17-19,23(2,20)21)9-7-12-3-5-13(6-4-12)14-8-10-22-11-14/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,18).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide has a molecular weight of 353.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide is sourced from PubChem (CID 90684272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).