ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate

C10H12BrNO3S — CID 156898490

IUPACethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H12BrNO3S/c1-3-15-9(13)5-12-10(14)7-4-8(11)16-6(7)2/h4H,3,5H2,1-2H3,(H,12,14)
InChIKeyUMXGPAAEUUYVAX-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.11
Rot. Bonds4

About ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate

ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate (PubChem CID 156898490) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate
PubChem CID156898490
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Nameethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H12BrNO3S/c1-3-15-9(13)5-12-10(14)7-4-8(11)16-6(7)2/h4H,3,5H2,1-2H3,(H,12,14)
InChIKeyUMXGPAAEUUYVAX-UHFFFAOYSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate (CID 156898490) is ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(Br)sc1C.
What is the InChIKey of ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate?
The InChIKey is UMXGPAAEUUYVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-3-15-9(13)5-12-10(14)7-4-8(11)16-6(7)2/h4H,3,5H2,1-2H3,(H,12,14).
What are the key properties of ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate?
ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate has a molecular weight of 306.18 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromo-2-methylthiophene-3-carbonyl)amino]acetate is sourced from PubChem (CID 156898490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).