3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide

C19H18BrNO2S2 — CID 126854849

IUPAC3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCC(O)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C19H18BrNO2S2/c20-15-4-2-1-3-13(15)5-8-19(23)21-11-16(22)18-7-6-17(25-18)14-9-10-24-12-14/h1-4,6-7,9-10,12,16,22H,5,8,11H2,(H,21,23)
InChIKeyITCWRFWEZIFKJW-UHFFFAOYSA-N
MW436.40 g/mol
LogP5.02
Rot. Bonds7

About 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide

3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide (PubChem CID 126854849) has the molecular formula C19H18BrNO2S2 and a molecular weight of 436.40 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide
PubChem CID126854849
Molecular FormulaC19H18BrNO2S2
Molecular Weight436.40 g/mol
Exact Mass435.00
IUPAC Name3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCC(O)c1ccc(-c2ccsc2)s1
InChIInChI=1S/C19H18BrNO2S2/c20-15-4-2-1-3-13(15)5-8-19(23)21-11-16(22)18-7-6-17(25-18)14-9-10-24-12-14/h1-4,6-7,9-10,12,16,22H,5,8,11H2,(H,21,23)
InChIKeyITCWRFWEZIFKJW-UHFFFAOYSA-N
XLogP5.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.40
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide
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3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide
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3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
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3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
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N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
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3-(2-bromophenyl)-N-hydroxypropanamide
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3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265200
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide (CID 126854849) is 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide is O=C(CCc1ccccc1Br)NCC(O)c1ccc(-c2ccsc2)s1.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide?
The InChIKey is ITCWRFWEZIFKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2S2/c20-15-4-2-1-3-13(15)5-8-19(23)21-11-16(22)18-7-6-17(25-18)14-9-10-24-12-14/h1-4,6-7,9-10,12,16,22H,5,8,11H2,(H,21,23).
What are the key properties of 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide?
3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide has a molecular weight of 436.40 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 126854849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).