5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide

C10H13BrN2O2S — CID 43424492

IUPAC5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C10H13BrN2O2S/c1-12(2)9(14)5-13(3)10(15)7-4-8(11)16-6-7/h4,6H,5H2,1-3H3
InChIKeyOTJSQDMTYKKZQU-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.67
Rot. Bonds3

About 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide

5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide (PubChem CID 43424492) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
PubChem CID43424492
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Name5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C10H13BrN2O2S/c1-12(2)9(14)5-13(3)10(15)7-4-8(11)16-6-7/h4,6H,5H2,1-3H3
InChIKeyOTJSQDMTYKKZQU-UHFFFAOYSA-N
XLogP1.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide (CID 43424492) is 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide is CN(C)C(=O)CN(C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is OTJSQDMTYKKZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-12(2)9(14)5-13(3)10(15)7-4-8(11)16-6-7/h4,6H,5H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide?
5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 305.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 43424492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).