N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide

C9H10BrNOS — CID 169466781

IUPACN-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Br)s1
InChIInChI=1S/C9H10BrNOS/c1-7(12)11-6-2-3-8-4-5-9(10)13-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyHCZGONCALOMQNW-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.66
Rot. Bonds3

About N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide

N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide (PubChem CID 169466781) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide
PubChem CID169466781
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC NameN-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Br)s1
InChIInChI=1S/C9H10BrNOS/c1-7(12)11-6-2-3-8-4-5-9(10)13-8/h2-5H,6H2,1H3,(H,11,12)
InChIKeyHCZGONCALOMQNW-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(E)-but-1-enyl]thiophene
CID 58787087
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79346871
(E)-3-(5-bromothiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)prop-2-enamide
CID 102914567
(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide
CID 9442219
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
N-[3-(3-bromofuran-2-yl)prop-2-enyl]acetamide
CID 169466854
2-bromo-5-[(E)-4-bromobut-1-enyl]thiophene
CID 82094488
methyl 2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-methylamino]acetate
CID 43407643
(E)-3-(5-bromothiophen-2-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115410076
(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 43236333
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
(E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 47439352

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide (CID 169466781) is N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(Br)s1.
What is the InChIKey of N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide?
The InChIKey is HCZGONCALOMQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c1-7(12)11-6-2-3-8-4-5-9(10)13-8/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide?
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide has a molecular weight of 260.16 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).