4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide

C8H10BrNO2S — CID 69113007

IUPAC4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(C)c(Br)c1OC
InChIInChI=1S/C8H10BrNO2S/c1-4-5(9)6(12-3)7(13-4)8(11)10-2/h1-3H3,(H,10,11)
InChIKeyPOLRHXLHPKVYGW-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.19
Rot. Bonds2

About 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide

4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide (PubChem CID 69113007) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide
PubChem CID69113007
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(C)c(Br)c1OC
InChIInChI=1S/C8H10BrNO2S/c1-4-5(9)6(12-3)7(13-4)8(11)10-2/h1-3H3,(H,10,11)
InChIKeyPOLRHXLHPKVYGW-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide (CID 69113007) is 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide is CNC(=O)c1sc(C)c(Br)c1OC.
What is the InChIKey of 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is POLRHXLHPKVYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-4-5(9)6(12-3)7(13-4)8(11)10-2/h1-3H3,(H,10,11).
What are the key properties of 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide?
4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 264.14 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 69113007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).