2-chloro-N-methyl-2-thiophen-2-ylacetamide

C7H8ClNOS — CID 10103980

IUPAC2-chloro-N-methyl-2-thiophen-2-ylacetamide
SMILESCNC(=O)C(Cl)c1cccs1
InChIInChI=1S/C7H8ClNOS/c1-9-7(10)6(8)5-3-2-4-11-5/h2-4,6H,1H3,(H,9,10)
InChIKeyMRLAALDXETWGAK-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.77
Rot. Bonds2

About 2-chloro-N-methyl-2-thiophen-2-ylacetamide

2-chloro-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 10103980) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-chloro-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-2-thiophen-2-ylacetamide
PubChem CID10103980
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name2-chloro-N-methyl-2-thiophen-2-ylacetamide
SMILESCNC(=O)C(Cl)c1cccs1
InChIInChI=1S/C7H8ClNOS/c1-9-7(10)6(8)5-3-2-4-11-5/h2-4,6H,1H3,(H,9,10)
InChIKeyMRLAALDXETWGAK-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171
3-(2-chloropropanoylamino)-3-thiophen-2-ylpropanoic acid
CID 43700897
N,4-dimethyl-2-(1-thiophen-2-ylethylamino)pentanamide
CID 43750667
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868453
2-(2-aminophenyl)-2-chloro-N-methylacetamide
CID 155233545
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-phenylacetamide
CID 61251162
5-(methylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
CID 82128267
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of 2-chloro-N-methyl-2-thiophen-2-ylacetamide (CID 10103980) is 2-chloro-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-chloro-N-methyl-2-thiophen-2-ylacetamide is CNC(=O)C(Cl)c1cccs1.
What is the InChIKey of 2-chloro-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is MRLAALDXETWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-9-7(10)6(8)5-3-2-4-11-5/h2-4,6H,1H3,(H,9,10).
What are the key properties of 2-chloro-N-methyl-2-thiophen-2-ylacetamide?
2-chloro-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 189.67 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 10103980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).