4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide

C11H14Br2N2O2S — CID 78968180

IUPAC4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br2N2O2S/c1-3-4-15(6-9(16)14-2)11(17)8-5-7(12)10(13)18-8/h5H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyBGNWVLSIKHJHEH-UHFFFAOYSA-N
MW398.12 g/mol
LogP2.87
Rot. Bonds5

About 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide

4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide (PubChem CID 78968180) has the molecular formula C11H14Br2N2O2S and a molecular weight of 398.12 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
PubChem CID78968180
Molecular FormulaC11H14Br2N2O2S
Molecular Weight398.12 g/mol
Exact Mass395.91
IUPAC Name4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br2N2O2S/c1-3-4-15(6-9(16)14-2)11(17)8-5-7(12)10(13)18-8/h5H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyBGNWVLSIKHJHEH-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(4-methylphenyl)methyl]-N-propylthiophene-2-carboxamide
CID 78909790
2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103882596
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
CID 80536635
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488
4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 80537078
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102993490
N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
CID 79990343
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
4,5-dibromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 40727971
5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79996781
2-(2,4-dimethylphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 49025576
4,5-dibromo-N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 112723253

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide (CID 78968180) is 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide is CCCN(CC(=O)NC)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide?
The InChIKey is BGNWVLSIKHJHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O2S/c1-3-4-15(6-9(16)14-2)11(17)8-5-7(12)10(13)18-8/h5H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide?
4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide has a molecular weight of 398.12 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 78968180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).