methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate

C15H16BrNO2S — CID 62346114

IUPACmethyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate
SMILESCCc1ccc(C(Nc2ccccc2Br)C(=O)OC)s1
InChIInChI=1S/C15H16BrNO2S/c1-3-10-8-9-13(20-10)14(15(18)19-2)17-12-7-5-4-6-11(12)16/h4-9,14,17H,3H2,1-2H3
InChIKeyCCSKRTCAJHJOTJ-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.40
Rot. Bonds5

About methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate

methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate (PubChem CID 62346114) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate
PubChem CID62346114
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Namemethyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate
SMILESCCc1ccc(C(Nc2ccccc2Br)C(=O)OC)s1
InChIInChI=1S/C15H16BrNO2S/c1-3-10-8-9-13(20-10)14(15(18)19-2)17-12-7-5-4-6-11(12)16/h4-9,14,17H,3H2,1-2H3
InChIKeyCCSKRTCAJHJOTJ-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
CID 62347183
2-(2-bromoanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347550
methyl 2-(cyclopentylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345405
methyl 2-(2-chloroanilino)-2-(4,5-dibromothiophen-2-yl)acetate
CID 102840709
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
methyl 2-(2-bromoanilino)-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765990
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345223
methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
CID 62134309
methyl 2-(2-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60994408
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
ethyl 2-(2-bromoanilino)pentanoate
CID 54890587

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate?
The IUPAC name of methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate (CID 62346114) is methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate?
The canonical SMILES for methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate is CCc1ccc(C(Nc2ccccc2Br)C(=O)OC)s1.
What is the InChIKey of methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate?
The InChIKey is CCSKRTCAJHJOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-3-10-8-9-13(20-10)14(15(18)19-2)17-12-7-5-4-6-11(12)16/h4-9,14,17H,3H2,1-2H3.
What are the key properties of methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate?
methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate has a molecular weight of 354.27 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromoanilino)-2-(5-ethylthiophen-2-yl)acetate is sourced from PubChem (CID 62346114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).