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

C9H12ClNOS — CID 4962340

IUPAC2-chloro-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(Cl)C(=O)NCCc1cccs1
InChIInChI=1S/C9H12ClNOS/c1-7(10)9(12)11-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12)
InChIKeyLQONMZBNDVUHIC-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.03
Rot. Bonds4

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

2-chloro-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 4962340) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-chloro-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID4962340
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name2-chloro-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(Cl)C(=O)NCCc1cccs1
InChIInChI=1S/C9H12ClNOS/c1-7(10)9(12)11-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12)
InChIKeyLQONMZBNDVUHIC-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)propanamide (CID 4962340) is 2-chloro-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-thiophen-2-ylethyl)propanamide is CC(Cl)C(=O)NCCc1cccs1.
What is the InChIKey of 2-chloro-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is LQONMZBNDVUHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-7(10)9(12)11-5-4-8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(2-thiophen-2-ylethyl)propanamide?
2-chloro-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 217.72 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 4962340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).