4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide

C9H13BrN2OS — CID 17218082

IUPAC4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Br)cs1
InChIInChI=1S/C9H13BrN2OS/c1-12(2)4-3-11-9(13)8-5-7(10)6-14-8/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyQUWIDXSEAUGAHV-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.80
Rot. Bonds4

About 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide

4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 17218082) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
PubChem CID17218082
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Br)cs1
InChIInChI=1S/C9H13BrN2OS/c1-12(2)4-3-11-9(13)8-5-7(10)6-14-8/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyQUWIDXSEAUGAHV-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide (CID 17218082) is 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide is CN(C)CCNC(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is QUWIDXSEAUGAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-12(2)4-3-11-9(13)8-5-7(10)6-14-8/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 277.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17218082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).