5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide

C12H18BrNO2S — CID 79929205

IUPAC5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)C(C)COC
InChIInChI=1S/C12H18BrNO2S/c1-5-14(9(3)7-16-4)12(15)10-6-8(2)11(13)17-10/h6,9H,5,7H2,1-4H3
InChIKeyIVGWGCFUQBBPIY-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.32
Rot. Bonds5

About 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide (PubChem CID 79929205) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
PubChem CID79929205
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)C(C)COC
InChIInChI=1S/C12H18BrNO2S/c1-5-14(9(3)7-16-4)12(15)10-6-8(2)11(13)17-10/h6,9H,5,7H2,1-4H3
InChIKeyIVGWGCFUQBBPIY-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide (CID 79929205) is 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide is CCN(C(=O)c1cc(C)c(Br)s1)C(C)COC.
What is the InChIKey of 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is IVGWGCFUQBBPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-5-14(9(3)7-16-4)12(15)10-6-8(2)11(13)17-10/h6,9H,5,7H2,1-4H3.
What are the key properties of 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 320.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79929205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).