5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide

C8H9BrN2O2S — CID 37356188

IUPAC5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C8H9BrN2O2S/c1-10-7(12)3-11-8(13)5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H,10,12)(H,11,13)
InChIKeyBTBQLHLXFAEZRP-UHFFFAOYSA-N
MW277.14 g/mol
LogP0.99
Rot. Bonds3

About 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide

5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 37356188) has the molecular formula C8H9BrN2O2S and a molecular weight of 277.14 g/mol. Its IUPAC name is 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
PubChem CID37356188
Molecular FormulaC8H9BrN2O2S
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC Name5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C8H9BrN2O2S/c1-10-7(12)3-11-8(13)5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H,10,12)(H,11,13)
InChIKeyBTBQLHLXFAEZRP-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide (CID 37356188) is 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide is CNC(=O)CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is BTBQLHLXFAEZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c1-10-7(12)3-11-8(13)5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 277.14 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 37356188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).