2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide

C12H17BrN2OS — CID 113220333

IUPAC2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCc1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-3-7-15-12(16)9(2)14-8-6-10-4-5-11(13)17-10/h3-5,9,14H,1,6-8H2,2H3,(H,15,16)
InChIKeyCZISYUMVYZCLNA-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.33
Rot. Bonds7

About 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide

2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide (PubChem CID 113220333) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide
PubChem CID113220333
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCc1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-3-7-15-12(16)9(2)14-8-6-10-4-5-11(13)17-10/h3-5,9,14H,1,6-8H2,2H3,(H,15,16)
InChIKeyCZISYUMVYZCLNA-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 103994680
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
CID 62404774
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 95764593
2-[(5-bromothiophen-2-yl)methylamino]-N-tert-butylpropanamide
CID 47165182
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide (CID 113220333) is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCCc1ccc(Br)s1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide?
The InChIKey is CZISYUMVYZCLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-3-7-15-12(16)9(2)14-8-6-10-4-5-11(13)17-10/h3-5,9,14H,1,6-8H2,2H3,(H,15,16).
What are the key properties of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide?
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide has a molecular weight of 317.25 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 113220333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).