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

C10H15BrN2O2S — CID 62473597

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2O2S/c1-15-5-4-8(12)10(14)13-6-7-2-3-9(11)16-7/h2-3,8H,4-6,12H2,1H3,(H,13,14)
InChIKeyBMJHHUCCHQLNOX-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.49
Rot. Bonds6

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

2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide (PubChem CID 62473597) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide
PubChem CID62473597
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2O2S/c1-15-5-4-8(12)10(14)13-6-7-2-3-9(11)16-7/h2-3,8H,4-6,12H2,1H3,(H,13,14)
InChIKeyBMJHHUCCHQLNOX-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
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]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide (CID 62473597) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide is COCCC(N)C(=O)NCc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide?
The InChIKey is BMJHHUCCHQLNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-15-5-4-8(12)10(14)13-6-7-2-3-9(11)16-7/h2-3,8H,4-6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybutanamide has a molecular weight of 307.21 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 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]-4-methoxybutanamide is sourced from PubChem (CID 62473597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).