2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide

C10H15BrN2OS — CID 43431987

IUPAC2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1csc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-3-12-10(14)7(2)13-5-8-4-9(11)15-6-8/h4,6-7,13H,3,5H2,1-2H3,(H,12,14)
InChIKeyANTZIVVHYVGCIY-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.12
Rot. Bonds5

About 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide

2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide (PubChem CID 43431987) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide
PubChem CID43431987
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1csc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-3-12-10(14)7(2)13-5-8-4-9(11)15-6-8/h4,6-7,13H,3,5H2,1-2H3,(H,12,14)
InChIKeyANTZIVVHYVGCIY-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide (CID 43431987) is 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide?
The InChIKey is ANTZIVVHYVGCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-12-10(14)7(2)13-5-8-4-9(11)15-6-8/h4,6-7,13H,3,5H2,1-2H3,(H,12,14).
What are the key properties of 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide?
2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide has a molecular weight of 291.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 43431987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).