methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate

C14H14FNO2S — CID 62090334

IUPACmethyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate
SMILESCOC(=O)c1cc(F)ccc1NC(C)c1ccsc1
InChIInChI=1S/C14H14FNO2S/c1-9(10-5-6-19-8-10)16-13-4-3-11(15)7-12(13)14(17)18-2/h3-9,16H,1-2H3
InChIKeyBVVRTDFGTRGPJI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.85
Rot. Bonds4

About methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate

methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate (PubChem CID 62090334) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate
PubChem CID62090334
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Namemethyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate
SMILESCOC(=O)c1cc(F)ccc1NC(C)c1ccsc1
InChIInChI=1S/C14H14FNO2S/c1-9(10-5-6-19-8-10)16-13-4-3-11(15)7-12(13)14(17)18-2/h3-9,16H,1-2H3
InChIKeyBVVRTDFGTRGPJI-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,4-difluoro-5-(1-thiophen-3-ylethylamino)benzoate
CID 62091574
methyl 5-fluoro-2-(1-phenylethylamino)benzoate
CID 43735544
methyl 4-chloro-3-(1-thiophen-3-ylethylamino)benzoate
CID 62090505
methyl 5-fluoro-2-(1-methoxypropan-2-ylamino)benzoate
CID 62536813
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 55122299
methyl 5-fluoro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196610
methyl 4-fluoro-2-[1-(3-fluorophenyl)ethylamino]benzoate
CID 43735257
tert-butyl 5-fluoro-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]benzoate
CID 91318968
2-bromo-3-fluoro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 107540257
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-5-methylbenzoate
CID 43679229
methyl 5-fluoro-2-(heptan-2-ylamino)benzoate
CID 43735422

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate?
The IUPAC name of methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate (CID 62090334) is methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate.
What is the SMILES notation for methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate?
The canonical SMILES for methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate is COC(=O)c1cc(F)ccc1NC(C)c1ccsc1.
What is the InChIKey of methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate?
The InChIKey is BVVRTDFGTRGPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-9(10-5-6-19-8-10)16-13-4-3-11(15)7-12(13)14(17)18-2/h3-9,16H,1-2H3.
What are the key properties of methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate?
methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate has a molecular weight of 279.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-(1-thiophen-3-ylethylamino)benzoate is sourced from PubChem (CID 62090334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).