2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C12H15F3N2O3S — CID 103996024

IUPAC2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1ccc(CNC(=O)N(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C12H15F3N2O3S/c1-2-8-3-4-9(21-8)5-16-11(20)17(6-10(18)19)7-12(13,14)15/h3-4H,2,5-7H2,1H3,(H,16,20)(H,18,19)
InChIKeySUZGSIQRVPNGPG-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.47
Rot. Bonds6

About 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 103996024) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID103996024
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1ccc(CNC(=O)N(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C12H15F3N2O3S/c1-2-8-3-4-9(21-8)5-16-11(20)17(6-10(18)19)7-12(13,14)15/h3-4H,2,5-7H2,1H3,(H,16,20)(H,18,19)
InChIKeySUZGSIQRVPNGPG-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

N-[(thiophen-2-ylmethyl)carbamoyl]-L-alanine
CID 5389745
Methyl 2-{[2-(thiophen-2-YL)azepane-1-carbonyl]amino}acetate
CID 22586950
Methyl 2-{[2-(5-methylthiophen-2-YL)azepane-1-carbonyl]amino}acetate
CID 22586951
(2R)-2-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]propanoic acid
CID 152198782
2-[[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257784
2-[(5-Ethylthiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258869
2-[[2-[Methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262437
2-[[2-Oxo-2-(1-thiophen-2-ylethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262715
2-[[2-Oxo-2-(2-thiophen-2-ylethylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263198
2-[[Ethyl(thiophen-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263919
2-[[(5-Chlorothiophen-2-yl)methyl-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263921
2-[1-(5-Chlorothiophen-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263937

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 103996024) is 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1ccc(CNC(=O)N(CC(=O)O)CC(F)(F)F)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SUZGSIQRVPNGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-2-8-3-4-9(21-8)5-16-11(20)17(6-10(18)19)7-12(13,14)15/h3-4H,2,5-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 324.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 103996024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).