N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide

C9H12BrNO2S — CID 115140909

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S/c1-6(12)9(13)11-5-4-7-2-3-8(10)14-7/h2-3,6,12H,4-5H2,1H3,(H,11,13)
InChIKeyQRWPGXQJZMALNL-UHFFFAOYSA-N
MW278.17 g/mol
LogP1.55
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide (PubChem CID 115140909) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
PubChem CID115140909
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S/c1-6(12)9(13)11-5-4-7-2-3-8(10)14-7/h2-3,6,12H,4-5H2,1H3,(H,11,13)
InChIKeyQRWPGXQJZMALNL-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 103994680
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
3-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106040443
ethyl 2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropanoate
CID 106047987
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 95764593
N-[2-(5-bromothiophen-2-yl)ethyl]-2-carbamothioylbutanamide
CID 114139154

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide (CID 115140909) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide is CC(O)C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide?
The InChIKey is QRWPGXQJZMALNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-6(12)9(13)11-5-4-7-2-3-8(10)14-7/h2-3,6,12H,4-5H2,1H3,(H,11,13).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide has a molecular weight of 278.17 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 115140909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).