N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide

C10H14ClNO2S — CID 51075904

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COC
InChIInChI=1S/C10H14ClNO2S/c1-3-12(10(13)7-14-2)6-8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3
InChIKeyZBUNKYCGUHTQCM-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.40
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide (PubChem CID 51075904) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide
PubChem CID51075904
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COC
InChIInChI=1S/C10H14ClNO2S/c1-3-12(10(13)7-14-2)6-8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3
InChIKeyZBUNKYCGUHTQCM-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 2465947
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide
CID 51082907
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 53502239
1-{4-[(5-Chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
CID 60645778
2-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 51074235
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 45798585
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45893374
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 95303437
2-[Bis[(5-chlorothiophen-2-yl)methyl]amino]ethyl acetate
CID 178336788
N-[(5-chlorothiophen-2-yl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 51076758
1-[4-[(5-Chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 55713282
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62491611

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide (CID 51075904) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide is CCN(Cc1ccc(Cl)s1)C(=O)COC.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide?
The InChIKey is ZBUNKYCGUHTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-12(10(13)7-14-2)6-8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide has a molecular weight of 247.75 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide is sourced from PubChem (CID 51075904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).