methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate

C14H14FNO2S — CID 54894684

IUPACmethyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCc1cccs1)c1ccccc1F
InChIInChI=1S/C14H14FNO2S/c1-18-14(17)13(11-6-2-3-7-12(11)15)16-9-10-5-4-8-19-10/h2-8,13,16H,9H2,1H3
InChIKeyOCDMPHYHFASQEI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate

methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate (PubChem CID 54894684) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate
PubChem CID54894684
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Namemethyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCc1cccs1)c1ccccc1F
InChIInChI=1S/C14H14FNO2S/c1-18-14(17)13(11-6-2-3-7-12(11)15)16-9-10-5-4-8-19-10/h2-8,13,16H,9H2,1H3
InChIKeyOCDMPHYHFASQEI-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 79972889
methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 24938549
methyl 2-(4-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 61345410
2-(2-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 60997221
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891133
methyl 3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 60680037
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 59107325
2-(4-chloro-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 114843727
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891569
ethyl 2-(4-fluoro-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 62121692
methyl 4-phenyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62881287
ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate (CID 54894684) is methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate is COC(=O)C(NCc1cccs1)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate?
The InChIKey is OCDMPHYHFASQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-18-14(17)13(11-6-2-3-7-12(11)15)16-9-10-5-4-8-19-10/h2-8,13,16H,9H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate?
methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate has a molecular weight of 279.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate is sourced from PubChem (CID 54894684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).