2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide

C10H15BrN2O2S — CID 60691989

IUPAC2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2O2S/c1-15-3-2-13-10(14)6-12-5-9-4-8(11)7-16-9/h4,7,12H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyAEYNOVFYZIISKF-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.36
Rot. Bonds7

About 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 60691989) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID60691989
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2O2S/c1-15-3-2-13-10(14)6-12-5-9-4-8(11)7-16-9/h4,7,12H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyAEYNOVFYZIISKF-UHFFFAOYSA-N
XLogP1.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115875961
2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35604980
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 54956112
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyethylsulfanyl)ethanamine
CID 62577392
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455
2-[(3-bromo-4-chlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112555040
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
2-(4-bromothiophen-2-yl)-N-butylacetamide
CID 110769883
methyl 3-[(4-bromothiophen-2-yl)methylamino]-2-chloropropanoate
CID 103491693
3-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 60762193

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide (CID 60691989) is 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is AEYNOVFYZIISKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-15-3-2-13-10(14)6-12-5-9-4-8(11)7-16-9/h4,7,12H,2-3,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 307.21 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 60691989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).