2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide

C12H19BrN2O2S — CID 62473584

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C(N)CCOC
InChIInChI=1S/C12H19BrN2O2S/c1-3-15(8-9-4-5-11(13)18-9)12(16)10(14)6-7-17-2/h4-5,10H,3,6-8,14H2,1-2H3
InChIKeyZGUNXFJBDONGGB-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.22
Rot. Bonds7

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide

2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide (PubChem CID 62473584) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
PubChem CID62473584
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)C(N)CCOC
InChIInChI=1S/C12H19BrN2O2S/c1-3-15(8-9-4-5-11(13)18-9)12(16)10(14)6-7-17-2/h4-5,10H,3,6-8,14H2,1-2H3
InChIKeyZGUNXFJBDONGGB-UHFFFAOYSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide (CID 62473584) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide is CCN(Cc1ccc(Br)s1)C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide?
The InChIKey is ZGUNXFJBDONGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-3-15(8-9-4-5-11(13)18-9)12(16)10(14)6-7-17-2/h4-5,10H,3,6-8,14H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide has a molecular weight of 335.27 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide is sourced from PubChem (CID 62473584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).