5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide

C13H19BrN2O2S — CID 37094409

IUPAC5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H19BrN2O2S/c1-5-16(7-11(17)15-13(2,3)4)12(18)9-6-10(14)19-8-9/h6,8H,5,7H2,1-4H3,(H,15,17)
InChIKeyQSTMVFQBOUJZLZ-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.89
Rot. Bonds4

About 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide

5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide (PubChem CID 37094409) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide
PubChem CID37094409
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H19BrN2O2S/c1-5-16(7-11(17)15-13(2,3)4)12(18)9-6-10(14)19-8-9/h6,8H,5,7H2,1-4H3,(H,15,17)
InChIKeyQSTMVFQBOUJZLZ-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide (CID 37094409) is 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide?
The InChIKey is QSTMVFQBOUJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-5-16(7-11(17)15-13(2,3)4)12(18)9-6-10(14)19-8-9/h6,8H,5,7H2,1-4H3,(H,15,17).
What are the key properties of 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide?
5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide has a molecular weight of 347.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthiophene-3-carboxamide is sourced from PubChem (CID 37094409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).