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

C9H9BrN2OS — CID 104696927

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C9H9BrN2OS/c10-8-2-1-7(14-8)4-6-12-9(13)3-5-11/h1-2H,3-4,6H2,(H,12,13)
InChIKeyYUZJWQXKFJRSSD-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.08
Rot. Bonds4

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

N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide (PubChem CID 104696927) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
PubChem CID104696927
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C9H9BrN2OS/c10-8-2-1-7(14-8)4-6-12-9(13)3-5-11/h1-2H,3-4,6H2,(H,12,13)
InChIKeyYUZJWQXKFJRSSD-UHFFFAOYSA-N
XLogP2.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
4-[3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182566
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 29306500
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18267056
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 30770191
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106048077
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18133750
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide (CID 104696927) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide is N#CCC(=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide?
The InChIKey is YUZJWQXKFJRSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c10-8-2-1-7(14-8)4-6-12-9(13)3-5-11/h1-2H,3-4,6H2,(H,12,13).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide has a molecular weight of 273.16 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 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-cyanoacetamide is sourced from PubChem (CID 104696927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).