N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide

C9H13BrN2OS — CID 28710264

IUPACN-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-7(13)12-5-4-11-6-8-2-3-9(10)14-8/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyLOSTZXUCNODLLQ-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.74
Rot. Bonds5

About N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide

N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide (PubChem CID 28710264) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide
PubChem CID28710264
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC NameN-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-7(13)12-5-4-11-6-8-2-3-9(10)14-8/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyLOSTZXUCNODLLQ-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide (CID 28710264) is N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(Br)s1.
What is the InChIKey of N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide?
The InChIKey is LOSTZXUCNODLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-7(13)12-5-4-11-6-8-2-3-9(10)14-8/h2-3,11H,4-6H2,1H3,(H,12,13).
What are the key properties of N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide?
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide has a molecular weight of 277.19 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 28710264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).