methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate

C15H16FNO2S — CID 82894432

IUPACmethyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2cccc(F)c2C)s1
InChIInChI=1S/C15H16FNO2S/c1-10-13(16)4-3-5-14(10)17-9-12-7-6-11(20-12)8-15(18)19-2/h3-7,17H,8-9H2,1-2H3
InChIKeyQGLOBEKRBIBXCV-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.52
Rot. Bonds5

About methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate

methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate (PubChem CID 82894432) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate
PubChem CID82894432
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Namemethyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CNc2cccc(F)c2C)s1
InChIInChI=1S/C15H16FNO2S/c1-10-13(16)4-3-5-14(10)17-9-12-7-6-11(20-12)8-15(18)19-2/h3-7,17H,8-9H2,1-2H3
InChIKeyQGLOBEKRBIBXCV-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-[(2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894694
methyl 2-[5-[(4-chloro-2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894934
methyl 2-[5-[(2,3,5-trifluoroanilino)methyl]thiophen-2-yl]acetate
CID 82887799
methyl 2-[5-[(2-cyano-3-methylanilino)methyl]thiophen-2-yl]acetate
CID 107803587
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705
methyl 2-[5-[[2-(dimethylamino)anilino]methyl]thiophen-2-yl]acetate
CID 82887111
methyl 2-[5-[[(2-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 82894273
methyl 2-[5-[(4-cyano-2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82886294
methyl 2-[5-[[(6-fluoro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 103949613
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[(3,4-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82894984
methyl 2-[5-[(4-bromo-2,6-dimethylanilino)methyl]thiophen-2-yl]acetate
CID 82887380

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate (CID 82894432) is methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CNc2cccc(F)c2C)s1.
What is the InChIKey of methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate?
The InChIKey is QGLOBEKRBIBXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-13(16)4-3-5-14(10)17-9-12-7-6-11(20-12)8-15(18)19-2/h3-7,17H,8-9H2,1-2H3.
What are the key properties of methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate has a molecular weight of 293.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(3-fluoro-2-methylanilino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82894432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).