3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide

C8H9ClFNOS — CID 155957459

IUPAC3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCF)s1
InChIInChI=1S/C8H9ClFNOS/c1-5-4-6(9)7(13-5)8(12)11-3-2-10/h4H,2-3H2,1H3,(H,11,12)
InChIKeySAHNHPUQNIUHHN-UHFFFAOYSA-N
MW221.68 g/mol
LogP2.41
Rot. Bonds3

About 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide

3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide (PubChem CID 155957459) has the molecular formula C8H9ClFNOS and a molecular weight of 221.68 g/mol. Its IUPAC name is 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
PubChem CID155957459
Molecular FormulaC8H9ClFNOS
Molecular Weight221.68 g/mol
Exact Mass221.01
IUPAC Name3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCF)s1
InChIInChI=1S/C8H9ClFNOS/c1-5-4-6(9)7(13-5)8(12)11-3-2-10/h4H,2-3H2,1H3,(H,11,12)
InChIKeySAHNHPUQNIUHHN-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide (CID 155957459) is 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide is Cc1cc(Cl)c(C(=O)NCCF)s1.
What is the InChIKey of 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide?
The InChIKey is SAHNHPUQNIUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNOS/c1-5-4-6(9)7(13-5)8(12)11-3-2-10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide?
3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide has a molecular weight of 221.68 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 155957459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).