3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide

C15H17BrN2O2S — CID 106033436

IUPAC3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C15H17BrN2O2S/c1-2-20-14-11(4-3-5-12(14)17)15(19)18-9-8-10-6-7-13(16)21-10/h3-7H,2,8-9,17H2,1H3,(H,18,19)
InChIKeyQFLLAIBYVFPSPY-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.46
Rot. Bonds6

About 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide (PubChem CID 106033436) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide
PubChem CID106033436
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C15H17BrN2O2S/c1-2-20-14-11(4-3-5-12(14)17)15(19)18-9-8-10-6-7-13(16)21-10/h3-7H,2,8-9,17H2,1H3,(H,18,19)
InChIKeyQFLLAIBYVFPSPY-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 106047985
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
CID 106033320
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
3-amino-2-[(5-bromothiophen-2-yl)methoxy]benzoic acid
CID 107077419
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitrobenzamide
CID 104877746

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide?
The IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide (CID 106033436) is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide?
The canonical SMILES for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide is CCOc1c(N)cccc1C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide?
The InChIKey is QFLLAIBYVFPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-2-20-14-11(4-3-5-12(14)17)15(19)18-9-8-10-6-7-13(16)21-10/h3-7H,2,8-9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide?
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide has a molecular weight of 369.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide is sourced from PubChem (CID 106033436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).