N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide

C10H12BrNO2S — CID 115176777

IUPACN-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO2S/c1-7(13)3-5-9(14)12(2)10-6-4-8(11)15-10/h4,6H,3,5H2,1-2H3
InChIKeyDYMYZBWWKRHDIZ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.84
Rot. Bonds4

About N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide

N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide (PubChem CID 115176777) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
PubChem CID115176777
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC NameN-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO2S/c1-7(13)3-5-9(14)12(2)10-6-4-8(11)15-10/h4,6H,3,5H2,1-2H3
InChIKeyDYMYZBWWKRHDIZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
CID 115173629
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-methyl-4-oxo-N-thiophen-2-ylpentanamide
CID 115176753
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171678
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
N-(5-bromothiophen-2-yl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150784
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187675
ethyl 2-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128742

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide (CID 115176777) is N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide is CC(=O)CCC(=O)N(C)c1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide?
The InChIKey is DYMYZBWWKRHDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-7(13)3-5-9(14)12(2)10-6-4-8(11)15-10/h4,6H,3,5H2,1-2H3.
What are the key properties of N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide?
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide has a molecular weight of 290.18 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide is sourced from PubChem (CID 115176777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).