2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

C11H14N4O2S — CID 122275655

IUPAC2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C11H14N4O2S/c1-2-17-7-11(16)12-5-9-6-15(14-13-9)10-3-4-18-8-10/h3-4,6,8H,2,5,7H2,1H3,(H,12,16)
InChIKeyXPYAHDODZWUPRP-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.98
Rot. Bonds6

About 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide

2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (PubChem CID 122275655) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
PubChem CID122275655
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C11H14N4O2S/c1-2-17-7-11(16)12-5-9-6-15(14-13-9)10-3-4-18-8-10/h3-4,6,8H,2,5,7H2,1H3,(H,12,16)
InChIKeyXPYAHDODZWUPRP-UHFFFAOYSA-N
XLogP0.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
CID 122275830
2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275772
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
CID 122275740
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275792
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
1-(3,5-dimethoxyphenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275982
1-(1-adamantyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275978
1-(4-tert-butylphenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275968
1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275712
3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275801

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide (CID 122275655) is 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is CCOCC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
The InChIKey is XPYAHDODZWUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-17-7-11(16)12-5-9-6-15(14-13-9)10-3-4-18-8-10/h3-4,6,8H,2,5,7H2,1H3,(H,12,16).
What are the key properties of 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide?
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 122275655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).