N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide

C10H14ClNOS — CID 47043521

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7(2)10(13)12-6-5-8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyYLGBQZKTHKCCPU-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide (PubChem CID 47043521) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide
PubChem CID47043521
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNOS/c1-7(2)10(13)12-6-5-8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyYLGBQZKTHKCCPU-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide (CID 47043521) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is YLGBQZKTHKCCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-7(2)10(13)12-6-5-8-3-4-9(11)14-8/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 231.75 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 47043521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).