2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide

C9H12ClNO2S — CID 166432017

IUPAC2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide
SMILESCON(C(=O)CCl)C(C)c1cccs1
InChIInChI=1S/C9H12ClNO2S/c1-7(8-4-3-5-14-8)11(13-2)9(12)6-10/h3-5,7H,6H2,1-2H3
InChIKeyWAKNSZSFTWQAFU-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.44
Rot. Bonds4

About 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide

2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 166432017) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID166432017
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide
SMILESCON(C(=O)CCl)C(C)c1cccs1
InChIInChI=1S/C9H12ClNO2S/c1-7(8-4-3-5-14-8)11(13-2)9(12)6-10/h3-5,7H,6H2,1-2H3
InChIKeyWAKNSZSFTWQAFU-UHFFFAOYSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-hydroxy-N-(1-thiophen-2-ylethyl)propanamide
CID 5061929
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
1-chloro-N-methyl-N-(1-thiophen-2-ylethyl)methanesulfonamide
CID 63664720
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
CID 97029198
methyl 2-thiophen-2-ylpropanoate
CID 12819459
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 107025959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide (CID 166432017) is 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide is CON(C(=O)CCl)C(C)c1cccs1.
What is the InChIKey of 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is WAKNSZSFTWQAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-7(8-4-3-5-14-8)11(13-2)9(12)6-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide?
2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 233.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 166432017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).