2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C12H15ClF3N3O2S — CID 26625829

IUPAC2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C12H15ClF3N3O2S/c1-2-19(5-8-3-4-9(13)22-8)6-10(20)18-11(21)17-7-12(14,15)16/h3-4H,2,5-7H2,1H3,(H2,17,18,20,21)
InChIKeySAXRXQQHRJPHLX-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.61
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 26625829) has the molecular formula C12H15ClF3N3O2S and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID26625829
Molecular FormulaC12H15ClF3N3O2S
Molecular Weight357.79 g/mol
Exact Mass357.05
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C12H15ClF3N3O2S/c1-2-19(5-8-3-4-9(13)22-8)6-10(20)18-11(21)17-7-12(14,15)16/h3-4H,2,5-7H2,1H3,(H2,17,18,20,21)
InChIKeySAXRXQQHRJPHLX-UHFFFAOYSA-N
XLogP2.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
CID 27072038
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 86908502
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 112796459
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26517660
N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432428
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40741355
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 86911016
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]acetamide
CID 51282323
4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 9298098
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62491611
4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]benzamide
CID 34704743
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 26625829) is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is SAXRXQQHRJPHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O2S/c1-2-19(5-8-3-4-9(13)22-8)6-10(20)18-11(21)17-7-12(14,15)16/h3-4H,2,5-7H2,1H3,(H2,17,18,20,21).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 357.79 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 26625829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).