2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide

C11H15ClN2O2S — CID 42957145

IUPAC2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S/c1-6(9-4-5-10(12)17-9)14-11(16)7(2)13-8(3)15/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyCBRYJXUYDQNDDP-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.10
Rot. Bonds4

About 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide

2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide (PubChem CID 42957145) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
PubChem CID42957145
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2O2S/c1-6(9-4-5-10(12)17-9)14-11(16)7(2)13-8(3)15/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyCBRYJXUYDQNDDP-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The IUPAC name of 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide (CID 42957145) is 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide is CC(=O)NC(C)C(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The InChIKey is CBRYJXUYDQNDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-6(9-4-5-10(12)17-9)14-11(16)7(2)13-8(3)15/h4-7H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide?
2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide has a molecular weight of 274.77 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 42957145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).