ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate

C10H12BrNO3S — CID 153387772

IUPACethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(C)=O)c(Br)c1C
InChIInChI=1S/C10H12BrNO3S/c1-4-15-10(14)8-5(2)7(11)9(16-8)12-6(3)13/h4H2,1-3H3,(H,12,13)
InChIKeyLAAILYSBRSWAIA-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.95
Rot. Bonds3

About ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate

ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate (PubChem CID 153387772) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate
PubChem CID153387772
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Nameethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(C)=O)c(Br)c1C
InChIInChI=1S/C10H12BrNO3S/c1-4-15-10(14)8-5(2)7(11)9(16-8)12-6(3)13/h4H2,1-3H3,(H,12,13)
InChIKeyLAAILYSBRSWAIA-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-acetamido-4-(benzylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 126118149
diethyl 5-(carbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 2771018
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
ethyl 2-acetamido-5-[1-(2-carbamoylhydrazinyl)ethenyl]-4-methylthiophene-3-carboxylate
CID 2691273
diethyl 5-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 1184315
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate
CID 101263964
diethyl 5-[[2-(4-acetamidobenzoyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16520809
ethyl 2-acetamido-5-acetyl-4-phenylthiophene-3-carboxylate
CID 833795
diethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 2171781
ethyl 5-[(2-bromobenzoyl)amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 7521196

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate (CID 153387772) is ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(C)=O)c(Br)c1C.
What is the InChIKey of ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate?
The InChIKey is LAAILYSBRSWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-4-15-10(14)8-5(2)7(11)9(16-8)12-6(3)13/h4H2,1-3H3,(H,12,13).
What are the key properties of ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate?
ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate has a molecular weight of 306.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 153387772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).