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

C15H17NO2S — CID 19894242

IUPACN-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)C1CC1c1cc2ccccc2s1
InChIInChI=1S/C15H17NO2S/c1-9(16(18)10(2)17)12-8-13(12)15-7-11-5-3-4-6-14(11)19-15/h3-7,9,12-13,18H,8H2,1-2H3
InChIKeyYCEVWSCLPNFVAK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.63
Rot. Bonds3

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

N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide (PubChem CID 19894242) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide
PubChem CID19894242
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)C1CC1c1cc2ccccc2s1
InChIInChI=1S/C15H17NO2S/c1-9(16(18)10(2)17)12-8-13(12)15-7-11-5-3-4-6-14(11)19-15/h3-7,9,12-13,18H,8H2,1-2H3
InChIKeyYCEVWSCLPNFVAK-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide?
The IUPAC name of N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide (CID 19894242) is N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide?
The canonical SMILES for N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide is CC(=O)N(O)C(C)C1CC1c1cc2ccccc2s1.
What is the InChIKey of N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide?
The InChIKey is YCEVWSCLPNFVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-9(16(18)10(2)17)12-8-13(12)15-7-11-5-3-4-6-14(11)19-15/h3-7,9,12-13,18H,8H2,1-2H3.
What are the key properties of N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide?
N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide has a molecular weight of 275.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-benzothiophen-2-yl)cyclopropyl]ethyl]-N-hydroxyacetamide is sourced from PubChem (CID 19894242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).