N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide

C15H17NO2S — CID 57099175

IUPACN-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CCC1CC1c1cc2ccccc2s1
InChIInChI=1S/C15H17NO2S/c1-10(17)16(18)7-6-11-8-13(11)15-9-12-4-2-3-5-14(12)19-15/h2-5,9,11,13,18H,6-8H2,1H3
InChIKeyIVHZDBURXLTSDK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.63
Rot. Bonds4

About N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide

N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide (PubChem CID 57099175) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide
PubChem CID57099175
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CCC1CC1c1cc2ccccc2s1
InChIInChI=1S/C15H17NO2S/c1-10(17)16(18)7-6-11-8-13(11)15-9-12-4-2-3-5-14(12)19-15/h2-5,9,11,13,18H,6-8H2,1H3
InChIKeyIVHZDBURXLTSDK-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.63
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-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide?
The IUPAC name of N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide (CID 57099175) is N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide?
The canonical SMILES for N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide is CC(=O)N(O)CCC1CC1c1cc2ccccc2s1.
What is the InChIKey of N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide?
The InChIKey is IVHZDBURXLTSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10(17)16(18)7-6-11-8-13(11)15-9-12-4-2-3-5-14(12)19-15/h2-5,9,11,13,18H,6-8H2,1H3.
What are the key properties of N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide?
N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide has a molecular weight of 275.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide is sourced from PubChem (CID 57099175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).