3-(5-chlorothiophen-2-yl)-2-methylpropanamide

C8H10ClNOS — CID 174269160

IUPAC3-(5-chlorothiophen-2-yl)-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)s1)C(N)=O
InChIInChI=1S/C8H10ClNOS/c1-5(8(10)11)4-6-2-3-7(9)12-6/h2-3,5H,4H2,1H3,(H2,10,11)
InChIKeyGFBZSVABJKMLMQ-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.07
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-2-methylpropanamide

3-(5-chlorothiophen-2-yl)-2-methylpropanamide (PubChem CID 174269160) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-methylpropanamide
PubChem CID174269160
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name3-(5-chlorothiophen-2-yl)-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)s1)C(N)=O
InChIInChI=1S/C8H10ClNOS/c1-5(8(10)11)4-6-2-3-7(9)12-6/h2-3,5H,4H2,1H3,(H2,10,11)
InChIKeyGFBZSVABJKMLMQ-UHFFFAOYSA-N
XLogP2.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-methylpropanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-methylpropanamide (CID 174269160) is 3-(5-chlorothiophen-2-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-methylpropanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-methylpropanamide is CC(Cc1ccc(Cl)s1)C(N)=O.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-methylpropanamide?
The InChIKey is GFBZSVABJKMLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-5(8(10)11)4-6-2-3-7(9)12-6/h2-3,5H,4H2,1H3,(H2,10,11).
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-methylpropanamide?
3-(5-chlorothiophen-2-yl)-2-methylpropanamide has a molecular weight of 203.69 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-methylpropanamide is sourced from PubChem (CID 174269160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).