N-pentan-3-yl-2-thiophen-2-ylacetamide

C11H17NOS — CID 670789

IUPACN-pentan-3-yl-2-thiophen-2-ylacetamide
SMILESCCC(CC)NC(=O)Cc1cccs1
InChIInChI=1S/C11H17NOS/c1-3-9(4-2)12-11(13)8-10-6-5-7-14-10/h5-7,9H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyMOVVOKYRWZRWIS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.60
Rot. Bonds5

About N-pentan-3-yl-2-thiophen-2-ylacetamide

N-pentan-3-yl-2-thiophen-2-ylacetamide (PubChem CID 670789) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-pentan-3-yl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-thiophen-2-ylacetamide
PubChem CID670789
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-pentan-3-yl-2-thiophen-2-ylacetamide
SMILESCCC(CC)NC(=O)Cc1cccs1
InChIInChI=1S/C11H17NOS/c1-3-9(4-2)12-11(13)8-10-6-5-7-14-10/h5-7,9H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyMOVVOKYRWZRWIS-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-thiophen-2-ylacetamide?
The IUPAC name of N-pentan-3-yl-2-thiophen-2-ylacetamide (CID 670789) is N-pentan-3-yl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-pentan-3-yl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-pentan-3-yl-2-thiophen-2-ylacetamide is CCC(CC)NC(=O)Cc1cccs1.
What is the InChIKey of N-pentan-3-yl-2-thiophen-2-ylacetamide?
The InChIKey is MOVVOKYRWZRWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-9(4-2)12-11(13)8-10-6-5-7-14-10/h5-7,9H,3-4,8H2,1-2H3,(H,12,13).
What are the key properties of N-pentan-3-yl-2-thiophen-2-ylacetamide?
N-pentan-3-yl-2-thiophen-2-ylacetamide has a molecular weight of 211.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 670789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).