N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide

C14H17NO2S — CID 14877839

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide
SMILESCC(C)C(=O)N(O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C14H17NO2S/c1-9(2)14(16)15(17)10(3)13-8-11-6-4-5-7-12(11)18-13/h4-10,17H,1-3H3
InChIKeyKJUGBWDAGXXVIP-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.84
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide

N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide (PubChem CID 14877839) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide
PubChem CID14877839
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide
SMILESCC(C)C(=O)N(O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C14H17NO2S/c1-9(2)14(16)15(17)10(3)13-8-11-6-4-5-7-12(11)18-13/h4-10,17H,1-3H3
InChIKeyKJUGBWDAGXXVIP-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide (CID 14877839) is N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide is CC(C)C(=O)N(O)C(C)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide?
The InChIKey is KJUGBWDAGXXVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9(2)14(16)15(17)10(3)13-8-11-6-4-5-7-12(11)18-13/h4-10,17H,1-3H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide?
N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide has a molecular weight of 263.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 14877839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).