3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide

C17H20BrNO2S — CID 86897384

IUPAC3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCc2cc(Br)cs2)cc1
InChIInChI=1S/C17H20BrNO2S/c1-3-21-15-6-4-13(5-7-15)12(2)19-17(20)9-8-16-10-14(18)11-22-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyKHFMWJOXVWVIEF-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.72
Rot. Bonds7

About 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide

3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide (PubChem CID 86897384) has the molecular formula C17H20BrNO2S and a molecular weight of 382.32 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide
PubChem CID86897384
Molecular FormulaC17H20BrNO2S
Molecular Weight382.32 g/mol
Exact Mass381.04
IUPAC Name3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCc2cc(Br)cs2)cc1
InChIInChI=1S/C17H20BrNO2S/c1-3-21-15-6-4-13(5-7-15)12(2)19-17(20)9-8-16-10-14(18)11-22-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyKHFMWJOXVWVIEF-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 51292726
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
2-(tert-butylamino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 47844270
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99951022
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 134010279
2-[3-(4-bromothiophen-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188027
3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 131963103
3-(4-bromothiophen-2-yl)-N-[(1S,2S)-1-(4-methylphenyl)-2-methylsulfonylpropyl]propanamide
CID 124890247
4-[[(2S)-2-aminopropanoyl]amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 119345046
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide (CID 86897384) is 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide is CCOc1ccc(C(C)NC(=O)CCc2cc(Br)cs2)cc1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide?
The InChIKey is KHFMWJOXVWVIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2S/c1-3-21-15-6-4-13(5-7-15)12(2)19-17(20)9-8-16-10-14(18)11-22-16/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide?
3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide has a molecular weight of 382.32 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 86897384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).