methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate

C14H14FNO2S — CID 94176340

IUPACmethyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
SMILESCOC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H14FNO2S/c1-18-13(17)9-16-14(12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,14,16H,9H2,1H3/t14-/m1/s1
InChIKeyHBBDDYGWHFBPDH-CQSZACIVSA-N
MW279.34 g/mol
LogP2.74
Rot. Bonds5

About methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate

methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate (PubChem CID 94176340) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
PubChem CID94176340
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Namemethyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
SMILESCOC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H14FNO2S/c1-18-13(17)9-16-14(12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,14,16H,9H2,1H3/t14-/m1/s1
InChIKeyHBBDDYGWHFBPDH-CQSZACIVSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanylpropanoate
CID 9344493
N-(2,4-difluorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051750
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 26540797
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46566797
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
1-(2,3-dihydroindol-1-yl)-2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]ethanone
CID 46566924
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-oxopentanoate
CID 9199170
methyl N-[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]carbamate
CID 8769482
2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9297150

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate?
The IUPAC name of methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate (CID 94176340) is methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate?
The canonical SMILES for methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate is COC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate?
The InChIKey is HBBDDYGWHFBPDH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-18-13(17)9-16-14(12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,14,16H,9H2,1H3/t14-/m1/s1.
What are the key properties of methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate?
methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate has a molecular weight of 279.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate is sourced from PubChem (CID 94176340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).