N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide

C11H11NO2S — CID 10585078

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide
SMILESCC(c1cc2ccccc2s1)N(O)C=O
InChIInChI=1S/C11H11NO2S/c1-8(12(14)7-13)11-6-9-4-2-3-5-10(9)15-11/h2-8,14H,1H3
InChIKeyYBBCKUHJPVFIJV-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.81
Rot. Bonds3

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

N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide (PubChem CID 10585078) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide
PubChem CID10585078
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide
SMILESCC(c1cc2ccccc2s1)N(O)C=O
InChIInChI=1S/C11H11NO2S/c1-8(12(14)7-13)11-6-9-4-2-3-5-10(9)15-11/h2-8,14H,1H3
InChIKeyYBBCKUHJPVFIJV-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Zileuton
CID 60490
Zileuton, (S)-
CID 10220327
B-[5-[(Diformylamino)methyl]benzo[b]thien-2-yl]boronic acid
CID 23655305
N-(1-Benzo[b]thiophen-2-yl-ethyl)-N-hydroxy-acetamide
CID 5061934
N-[1-(1-benzothien-2-yl)ethyl]-N-hydroxy-N''-methylurea
CID 9878198
N-[1-(1-benzothien-2-yl)ethyl]-N-hydroxy-N'',N''-dimethylurea
CID 9899979
N-[1-(5-fluoro-1-benzothien-2-yl)ethyl]-N-hydroxyurea
CID 9921313
N'-carbamoyl-N-hydroxy-N-[1-(benzo[b]thien-2-yl)ethyl]urea
CID 10516789
N''-[1-(1-benzothien-2-yl)ethyl]-N-hydroxy-N-methylurea
CID 10562635
N-[1-(5-benzylthien-2-yl)ethyl]-N-hydroxyurea
CID 10660093
1-[1-(1-Benzothiophen-2-YL)ethyl]-3-ethyl-1-hydroxyurea
CID 10706745
N-hydroxy-N-[1-(5-phenylthien-2-yl)ethyl]urea
CID 10801450

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide (CID 10585078) is N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide is CC(c1cc2ccccc2s1)N(O)C=O.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide?
The InChIKey is YBBCKUHJPVFIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8(12(14)7-13)11-6-9-4-2-3-5-10(9)15-11/h2-8,14H,1H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide?
N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyformamide has a molecular weight of 221.28 g/mol, XLogP of 2.81, 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-hydroxyformamide is sourced from PubChem (CID 10585078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).