4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide

C11H16BrNO3S — CID 123206697

IUPAC4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide
SMILESCCOC(C(N)=O)C(Cc1cscc1Br)OC
InChIInChI=1S/C11H16BrNO3S/c1-3-16-10(11(13)14)9(15-2)4-7-5-17-6-8(7)12/h5-6,9-10H,3-4H2,1-2H3,(H2,13,14)
InChIKeyPTSHDUSNRRNDIR-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.96
Rot. Bonds7

About 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide

4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide (PubChem CID 123206697) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide
PubChem CID123206697
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide
SMILESCCOC(C(N)=O)C(Cc1cscc1Br)OC
InChIInChI=1S/C11H16BrNO3S/c1-3-16-10(11(13)14)9(15-2)4-7-5-17-6-8(7)12/h5-6,9-10H,3-4H2,1-2H3,(H2,13,14)
InChIKeyPTSHDUSNRRNDIR-UHFFFAOYSA-N
XLogP1.96
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea
CID 19780456
2-ethoxy-2-methoxyacetamide
CID 54503538
1-(4-bromothiophen-3-yl)-2-methoxy-3-methylbutan-1-one
CID 116708424
3-bromo-4-(bromomethyl)thiophene
CID 13354759
[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine
CID 105246270
methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
CID 100929989
2-(4-bromothiophen-3-yl)-2-methoxyethanamine
CID 126978563
2,4-dibromo-4-ethoxybutanamide
CID 91329189
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116554721
2-(aminomethyl)-1-(4-bromothiophen-3-yl)butan-1-one
CID 116575230
1-bromo-2,4-bis(1-ethoxyethoxymethyl)benzene
CID 12039851

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide?
The IUPAC name of 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide (CID 123206697) is 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide is CCOC(C(N)=O)C(Cc1cscc1Br)OC.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide?
The InChIKey is PTSHDUSNRRNDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-3-16-10(11(13)14)9(15-2)4-7-5-17-6-8(7)12/h5-6,9-10H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide?
4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide has a molecular weight of 322.22 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-3-yl)-2-ethoxy-3-methoxybutanamide is sourced from PubChem (CID 123206697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).