methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate

C15H17NO2S — CID 61347156

IUPACmethyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate
SMILESCOC(=O)C(Nc1ccccc1C)c1sccc1C
InChIInChI=1S/C15H17NO2S/c1-10-6-4-5-7-12(10)16-13(15(17)18-3)14-11(2)8-9-19-14/h4-9,13,16H,1-3H3
InChIKeyNTDLJOVGFDUKMB-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.69
Rot. Bonds4

About methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate

methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate (PubChem CID 61347156) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate
PubChem CID61347156
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate
SMILESCOC(=O)C(Nc1ccccc1C)c1sccc1C
InChIInChI=1S/C15H17NO2S/c1-10-6-4-5-7-12(10)16-13(15(17)18-3)14-11(2)8-9-19-14/h4-9,13,16H,1-3H3
InChIKeyNTDLJOVGFDUKMB-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-fluoroanilino)-2-(3-methylthiophen-2-yl)acetate
CID 61346959
2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetamide
CID 61346770
methyl 2-(3-methylthiophen-2-yl)-2-(propan-2-ylamino)acetate
CID 61345774
methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
CID 60992633
methyl 2-anilino-2-(3-bromothiophen-2-yl)acetate
CID 113298141
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
methyl 3-methyl-2-(2-methylanilino)but-3-enoate
CID 114784500
methyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylanilino)acetate
CID 66157255
methyl 2-(2-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765990
methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
CID 60993730
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
CID 54889988

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate?
The IUPAC name of methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate (CID 61347156) is methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate is COC(=O)C(Nc1ccccc1C)c1sccc1C.
What is the InChIKey of methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate?
The InChIKey is NTDLJOVGFDUKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-6-4-5-7-12(10)16-13(15(17)18-3)14-11(2)8-9-19-14/h4-9,13,16H,1-3H3.
What are the key properties of methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate?
methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate has a molecular weight of 275.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylanilino)-2-(3-methylthiophen-2-yl)acetate is sourced from PubChem (CID 61347156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).