methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate

C15H16BrNO3S — CID 102840834

IUPACmethyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1cccc(OC)c1)c1cc(Br)c(C)s1
InChIInChI=1S/C15H16BrNO3S/c1-9-12(16)8-13(21-9)14(15(18)20-3)17-10-5-4-6-11(7-10)19-2/h4-8,14,17H,1-3H3
InChIKeyUTKQKWLDKDXMCZ-UHFFFAOYSA-N
MW370.27 g/mol
LogP4.15
Rot. Bonds5

About methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate

methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate (PubChem CID 102840834) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
PubChem CID102840834
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Namemethyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
SMILESCOC(=O)C(Nc1cccc(OC)c1)c1cc(Br)c(C)s1
InChIInChI=1S/C15H16BrNO3S/c1-9-12(16)8-13(21-9)14(15(18)20-3)17-10-5-4-6-11(7-10)19-2/h4-8,14,17H,1-3H3
InChIKeyUTKQKWLDKDXMCZ-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide
CID 102840245
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(3-methoxyanilino)acetate
CID 107124340
methyl 2-(3-bromoanilino)-2-(5-bromothiophen-2-yl)acetate
CID 61347397
2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
CID 60993931
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
2-(2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61005080
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353
2-(4-fluoro-3-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 62122028

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate?
The IUPAC name of methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate (CID 102840834) is methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate is COC(=O)C(Nc1cccc(OC)c1)c1cc(Br)c(C)s1.
What is the InChIKey of methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate?
The InChIKey is UTKQKWLDKDXMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-9-12(16)8-13(21-9)14(15(18)20-3)17-10-5-4-6-11(7-10)19-2/h4-8,14,17H,1-3H3.
What are the key properties of methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate?
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate has a molecular weight of 370.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate is sourced from PubChem (CID 102840834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).