2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide

C8H10ClNOS — CID 50987728

IUPAC2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CCl)s1
InChIInChI=1S/C8H10ClNOS/c1-6-2-3-7(12-6)5-10-8(11)4-9/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyPDPMCFVSTNUZEP-UHFFFAOYSA-N
MW203.69 g/mol
LogP1.91
Rot. Bonds3

About 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 50987728) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID50987728
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CCl)s1
InChIInChI=1S/C8H10ClNOS/c1-6-2-3-7(12-6)5-10-8(11)4-9/h2-3H,4-5H2,1H3,(H,10,11)
InChIKeyPDPMCFVSTNUZEP-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 51.91
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-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 50987728) is 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)CCl)s1.
What is the InChIKey of 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is PDPMCFVSTNUZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-6-2-3-7(12-6)5-10-8(11)4-9/h2-3H,4-5H2,1H3,(H,10,11).
What are the key properties of 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 203.69 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 50987728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).