N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide

C12H17NO3S — CID 57116563

IUPACN-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide
SMILESCOc1ccc(SC(C)(C)CC(=O)NO)cc1
InChIInChI=1S/C12H17NO3S/c1-12(2,8-11(14)13-15)17-10-6-4-9(16-3)5-7-10/h4-7,15H,8H2,1-3H3,(H,13,14)
InChIKeyTURACCUPLBMWRN-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.46
Rot. Bonds5

About N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide

N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide (PubChem CID 57116563) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide
PubChem CID57116563
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide
SMILESCOc1ccc(SC(C)(C)CC(=O)NO)cc1
InChIInChI=1S/C12H17NO3S/c1-12(2,8-11(14)13-15)17-10-6-4-9(16-3)5-7-10/h4-7,15H,8H2,1-3H3,(H,13,14)
InChIKeyTURACCUPLBMWRN-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.46
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'}

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-3-methylbutanoyl chloride
CID 22323720
N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide
CID 11793751
ethyl 2-(4-methoxyphenyl)sulfanyl-2,5-dimethylhex-4-enoate;N-hydroxy-2-(4-methoxyphenyl)sulfanyl-2,5-dimethylhex-4-enamide
CID 159863763
1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene
CID 86117661
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000
3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide?
The IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide (CID 57116563) is N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide.
What is the SMILES notation for N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide?
The canonical SMILES for N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide is COc1ccc(SC(C)(C)CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide?
The InChIKey is TURACCUPLBMWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(2,8-11(14)13-15)17-10-6-4-9(16-3)5-7-10/h4-7,15H,8H2,1-3H3,(H,13,14).
What are the key properties of N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide?
N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide has a molecular weight of 255.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide is sourced from PubChem (CID 57116563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).