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

C10H12ClNO2S — CID 7131623

IUPACN-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CCl)s1
InChIInChI=1S/C10H12ClNO2S/c1-7(13)12-5-4-8-2-3-10(15-8)9(14)6-11/h2-3H,4-6H2,1H3,(H,12,13)
InChIKeyDZEALSULQGZRCA-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.85
Rot. Bonds5

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

N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide (PubChem CID 7131623) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide
PubChem CID7131623
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC NameN-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CCl)s1
InChIInChI=1S/C10H12ClNO2S/c1-7(13)12-5-4-8-2-3-10(15-8)9(14)6-11/h2-3H,4-6H2,1H3,(H,12,13)
InChIKeyDZEALSULQGZRCA-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.85
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-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide (CID 7131623) is N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CCl)s1.
What is the InChIKey of N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide?
The InChIKey is DZEALSULQGZRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-7(13)12-5-4-8-2-3-10(15-8)9(14)6-11/h2-3H,4-6H2,1H3,(H,12,13).
What are the key properties of N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide?
N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide has a molecular weight of 245.73 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 7131623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).