5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide

C11H13BrN2O2S — CID 79929074

IUPAC5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC2CC2)sc1Br
InChIInChI=1S/C11H13BrN2O2S/c1-6-4-8(17-10(6)12)11(16)13-5-9(15)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyOOWBOBWRKZCWMV-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.83
Rot. Bonds4

About 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide (PubChem CID 79929074) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
PubChem CID79929074
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC2CC2)sc1Br
InChIInChI=1S/C11H13BrN2O2S/c1-6-4-8(17-10(6)12)11(16)13-5-9(15)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyOOWBOBWRKZCWMV-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 113252510
5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
CID 79998506
5-bromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methylthiophene-2-carboxamide
CID 79990416
3-amino-5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872231
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 79965148
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-4-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80712681
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide
CID 80600317

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide (CID 79929074) is 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(=O)NC2CC2)sc1Br.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is OOWBOBWRKZCWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-6-4-8(17-10(6)12)11(16)13-5-9(15)14-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 317.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79929074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).