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

C8H8ClNO2S — CID 4962460

IUPAC2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide
SMILESNC(=O)Cc1ccc(C(=O)CCl)s1
InChIInChI=1S/C8H8ClNO2S/c9-4-6(11)7-2-1-5(13-7)3-8(10)12/h1-2H,3-4H2,(H2,10,12)
InChIKeyUIDGOBWQSBSEAW-UHFFFAOYSA-N
MW217.68 g/mol
LogP1.20
Rot. Bonds4

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

2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide (PubChem CID 4962460) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide
PubChem CID4962460
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide
SMILESNC(=O)Cc1ccc(C(=O)CCl)s1
InChIInChI=1S/C8H8ClNO2S/c9-4-6(11)7-2-1-5(13-7)3-8(10)12/h1-2H,3-4H2,(H2,10,12)
InChIKeyUIDGOBWQSBSEAW-UHFFFAOYSA-N
XLogP1.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.20
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 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide (CID 4962460) is 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide is NC(=O)Cc1ccc(C(=O)CCl)s1.
What is the InChIKey of 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide?
The InChIKey is UIDGOBWQSBSEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-4-6(11)7-2-1-5(13-7)3-8(10)12/h1-2H,3-4H2,(H2,10,12).
What are the key properties of 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide?
2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide has a molecular weight of 217.68 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloroacetyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 4962460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).