2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide

C15H17BrN2OS — CID 119440876

IUPAC2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
SMILESCCNCc1ccccc1NC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C15H17BrN2OS/c1-2-17-10-11-5-3-4-6-13(11)18-15(19)9-12-7-8-14(16)20-12/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyTWGMPVKNQAPCSO-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.80
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide

2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide (PubChem CID 119440876) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
PubChem CID119440876
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
SMILESCCNCc1ccccc1NC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C15H17BrN2OS/c1-2-17-10-11-5-3-4-6-13(11)18-15(19)9-12-7-8-14(16)20-12/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyTWGMPVKNQAPCSO-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119439132
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509523
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
2-(2,5-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440427
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide (CID 119440876) is 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide is CCNCc1ccccc1NC(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide?
The InChIKey is TWGMPVKNQAPCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-2-17-10-11-5-3-4-6-13(11)18-15(19)9-12-7-8-14(16)20-12/h3-8,17H,2,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide?
2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide has a molecular weight of 353.29 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 119440876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).