methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate

C14H14FNO2S — CID 43735120

IUPACmethyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NCc1ccc(C)s1
InChIInChI=1S/C14H14FNO2S/c1-9-3-5-11(19-9)8-16-13-7-10(15)4-6-12(13)14(17)18-2/h3-7,16H,8H2,1-2H3
InChIKeyVVQUVNMKYDJYEG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.59
Rot. Bonds4

About methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate

methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate (PubChem CID 43735120) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
PubChem CID43735120
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Namemethyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NCc1ccc(C)s1
InChIInChI=1S/C14H14FNO2S/c1-9-3-5-11(19-9)8-16-13-7-10(15)4-6-12(13)14(17)18-2/h3-7,16H,8H2,1-2H3
InChIKeyVVQUVNMKYDJYEG-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 54868582
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43729988
methyl 2-[(3,4-difluorophenyl)methylamino]-4-fluorobenzoate
CID 43735155
methyl 2-[(5-bromofuran-2-yl)methylamino]-4-fluorobenzoate
CID 43735182
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
methyl 4-fluoro-2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410051
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 43685252
methyl 4-fluoro-2-[(5-nitrothiophen-3-yl)methylamino]benzoate
CID 60811028
methyl 5-amino-3-chloro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
CID 107195585
methyl 2-[(3-bromo-4-chlorophenyl)methylamino]-4-fluorobenzoate
CID 83232628
5-fluoro-2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 79523994

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate (CID 43735120) is methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate is COC(=O)c1ccc(F)cc1NCc1ccc(C)s1.
What is the InChIKey of methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate?
The InChIKey is VVQUVNMKYDJYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-9-3-5-11(19-9)8-16-13-7-10(15)4-6-12(13)14(17)18-2/h3-7,16H,8H2,1-2H3.
What are the key properties of methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate?
methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate has a molecular weight of 279.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate is sourced from PubChem (CID 43735120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).