methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate

C16H19NO2S — CID 43714447

IUPACmethyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1cccc(NC(C)c2ccc(C)s2)c1C
InChIInChI=1S/C16H19NO2S/c1-10-8-9-15(20-10)12(3)17-14-7-5-6-13(11(14)2)16(18)19-4/h5-9,12,17H,1-4H3
InChIKeyGXAKWUAEXYITPL-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.32
Rot. Bonds4

About methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate

methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate (PubChem CID 43714447) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate
PubChem CID43714447
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Namemethyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1cccc(NC(C)c2ccc(C)s2)c1C
InChIInChI=1S/C16H19NO2S/c1-10-8-9-15(20-10)12(3)17-14-7-5-6-13(11(14)2)16(18)19-4/h5-9,12,17H,1-4H3
InChIKeyGXAKWUAEXYITPL-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-2-[1-(5-methylthiophen-2-yl)ethylamino]benzoate
CID 115934400
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
methyl 3-[1-(4-iodophenyl)ethylamino]-2-methylbenzoate
CID 43784580
methyl 3-[1-(2-chlorophenyl)ethylamino]-2-methylbenzoate
CID 43714429
3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43739036
2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 43737318
methyl 3-[[(2R)-2-aminopropanoyl]amino]-2-methylbenzoate
CID 54996081
methyl 3-(2,2-dimethoxyethylamino)-2-methylbenzoate
CID 63697063
methyl 3-(2-chloropropanoylamino)-2-methylbenzoate
CID 43699222
methyl 2-methyl-3-(3-methylbutanoylamino)benzoate
CID 17297258
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741
3-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-2-nitroaniline
CID 47389861

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate?
The IUPAC name of methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate (CID 43714447) is methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate is COC(=O)c1cccc(NC(C)c2ccc(C)s2)c1C.
What is the InChIKey of methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate?
The InChIKey is GXAKWUAEXYITPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-10-8-9-15(20-10)12(3)17-14-7-5-6-13(11(14)2)16(18)19-4/h5-9,12,17H,1-4H3.
What are the key properties of methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate?
methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate has a molecular weight of 289.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate is sourced from PubChem (CID 43714447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).