2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide

C13H14BrNO3S — CID 71870124

IUPAC2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
SMILESCC(C(=O)NCC(O)c1ccco1)c1ccc(Br)s1
InChIInChI=1S/C13H14BrNO3S/c1-8(11-4-5-12(14)19-11)13(17)15-7-9(16)10-3-2-6-18-10/h2-6,8-9,16H,7H2,1H3,(H,15,17)
InChIKeyGZLIUGNFQMNFQB-UHFFFAOYSA-N
MW344.23 g/mol
LogP3.06
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide

2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide (PubChem CID 71870124) has the molecular formula C13H14BrNO3S and a molecular weight of 344.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
PubChem CID71870124
Molecular FormulaC13H14BrNO3S
Molecular Weight344.23 g/mol
Exact Mass342.99
IUPAC Name2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
SMILESCC(C(=O)NCC(O)c1ccco1)c1ccc(Br)s1
InChIInChI=1S/C13H14BrNO3S/c1-8(11-4-5-12(14)19-11)13(17)15-7-9(16)10-3-2-6-18-10/h2-6,8-9,16H,7H2,1H3,(H,15,17)
InChIKeyGZLIUGNFQMNFQB-UHFFFAOYSA-N
XLogP3.06
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide
CID 111441141
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 110889015
2-(5-bromothiophen-2-yl)propanehydrazide
CID 116843844
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
1-(5-bromothiophen-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 61104364
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide
CID 111971968
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131
5-[[2-(5-bromothiophen-2-yl)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226841
N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 110889321

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide (CID 71870124) is 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide is CC(C(=O)NCC(O)c1ccco1)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
The InChIKey is GZLIUGNFQMNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S/c1-8(11-4-5-12(14)19-11)13(17)15-7-9(16)10-3-2-6-18-10/h2-6,8-9,16H,7H2,1H3,(H,15,17).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide?
2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide has a molecular weight of 344.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 71870124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).