3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

C9H12ClNO2S — CID 106434922

IUPAC3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESO=C(CCCl)NCC(O)c1ccsc1
InChIInChI=1S/C9H12ClNO2S/c10-3-1-9(13)11-5-8(12)7-2-4-14-6-7/h2,4,6,8,12H,1,3,5H2,(H,11,13)
InChIKeyOKBMUAKGSTZZCR-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.53
Rot. Bonds5

About 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (PubChem CID 106434922) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
PubChem CID106434922
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESO=C(CCCl)NCC(O)c1ccsc1
InChIInChI=1S/C9H12ClNO2S/c10-3-1-9(13)11-5-8(12)7-2-4-14-6-7/h2,4,6,8,12H,1,3,5H2,(H,11,13)
InChIKeyOKBMUAKGSTZZCR-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
CID 103771643
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434358
3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide
CID 97084541
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 103686179

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (CID 106434922) is 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is O=C(CCCl)NCC(O)c1ccsc1.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The InChIKey is OKBMUAKGSTZZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c10-3-1-9(13)11-5-8(12)7-2-4-14-6-7/h2,4,6,8,12H,1,3,5H2,(H,11,13).
What are the key properties of 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide has a molecular weight of 233.72 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 106434922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).