2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide

C10H14BrNO2S — CID 110767727

IUPAC2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-14-6-2-5-12-10(13)7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3,(H,12,13)
InChIKeyLRZYEEFNMAEPDI-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.21
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide

2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 110767727) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide
PubChem CID110767727
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-14-6-2-5-12-10(13)7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3,(H,12,13)
InChIKeyLRZYEEFNMAEPDI-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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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Related Compounds

2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509523
1-[(5-bromothiophen-2-yl)methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975673
2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447118
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 8757204
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
4-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64502836
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
1-[2-(5-bromothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110973863

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide (CID 110767727) is 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is LRZYEEFNMAEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-14-6-2-5-12-10(13)7-8-3-4-9(11)15-8/h3-4H,2,5-7H2,1H3,(H,12,13).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide?
2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 292.20 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110767727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).