N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide

C9H10ClNO2S — CID 4962027

IUPACN-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CCl)s1
InChIInChI=1S/C9H10ClNO2S/c1-6(12)11-5-7-2-3-9(14-7)8(13)4-10/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyBBDWEMUVRXBMRC-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.81
Rot. Bonds4

About N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide

N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide (PubChem CID 4962027) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide
PubChem CID4962027
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC NameN-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CCl)s1
InChIInChI=1S/C9H10ClNO2S/c1-6(12)11-5-7-2-3-9(14-7)8(13)4-10/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyBBDWEMUVRXBMRC-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide (CID 4962027) is N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)CCl)s1.
What is the InChIKey of N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide?
The InChIKey is BBDWEMUVRXBMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-6(12)11-5-7-2-3-9(14-7)8(13)4-10/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide?
N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide has a molecular weight of 231.70 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 4962027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).