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

C15H17NO2S — CID 63991837

IUPACmethyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)c1sccc1C
InChIInChI=1S/C15H17NO2S/c1-10-8-9-19-14(10)11(2)16-13-7-5-4-6-12(13)15(17)18-3/h4-9,11,16H,1-3H3
InChIKeyUKQPROLBZVYZOQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.02
Rot. Bonds4

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

methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate (PubChem CID 63991837) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
PubChem CID63991837
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)c1sccc1C
InChIInChI=1S/C15H17NO2S/c1-10-8-9-19-14(10)11(2)16-13-7-5-4-6-12(13)15(17)18-3/h4-9,11,16H,1-3H3
InChIKeyUKQPROLBZVYZOQ-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate
CID 61347156
4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63992893
N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992462
2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63993254
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63990643
methyl 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate
CID 31511788
methyl 2-(2-methylpentan-3-ylamino)benzoate
CID 43774537
N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate?
The IUPAC name of methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate (CID 63991837) is methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate?
The canonical SMILES for methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate is COC(=O)c1ccccc1NC(C)c1sccc1C.
What is the InChIKey of methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate?
The InChIKey is UKQPROLBZVYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-8-9-19-14(10)11(2)16-13-7-5-4-6-12(13)15(17)18-3/h4-9,11,16H,1-3H3.
What are the key properties of methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate?
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate has a molecular weight of 275.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate is sourced from PubChem (CID 63991837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).