3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide

C9H12ClNOS — CID 80641222

IUPAC3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CNC(=O)c1sccc1Cl
InChIInChI=1S/C9H12ClNOS/c1-6(2)5-11-9(12)8-7(10)3-4-13-8/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyOTKQHGBCCCYXLV-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.79
Rot. Bonds3

About 3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide

3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 80641222) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID80641222
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CNC(=O)c1sccc1Cl
InChIInChI=1S/C9H12ClNOS/c1-6(2)5-11-9(12)8-7(10)3-4-13-8/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyOTKQHGBCCCYXLV-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.79
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-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide (CID 80641222) is 3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CNC(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is OTKQHGBCCCYXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-6(2)5-11-9(12)8-7(10)3-4-13-8/h3-4,6H,5H2,1-2H3,(H,11,12).
What are the key properties of 3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide?
3-chloro-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 217.72 g/mol, XLogP of 2.79, 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-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 80641222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).