N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide

C10H14BrNO2S — CID 63184422

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-2-14-6-5-10(13)12-7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3,(H,12,13)
InChIKeyPGCBYPJJMXYUAJ-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.55
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide

N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide (PubChem CID 63184422) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide
PubChem CID63184422
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-2-14-6-5-10(13)12-7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3,(H,12,13)
InChIKeyPGCBYPJJMXYUAJ-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
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-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide (CID 63184422) is N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide is CCOCCC(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide?
The InChIKey is PGCBYPJJMXYUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-2-14-6-5-10(13)12-7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3,(H,12,13).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide?
N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide has a molecular weight of 292.20 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-ethoxypropanamide is sourced from PubChem (CID 63184422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).