N-(3-methylbutyl)-2-thiophen-2-ylacetamide

C11H17NOS — CID 670146

IUPACN-(3-methylbutyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CCNC(=O)Cc1cccs1
InChIInChI=1S/C11H17NOS/c1-9(2)5-6-12-11(13)8-10-4-3-7-14-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,12,13)
InChIKeyCDMYSXJLHPNAKV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.45
Rot. Bonds5

About N-(3-methylbutyl)-2-thiophen-2-ylacetamide

N-(3-methylbutyl)-2-thiophen-2-ylacetamide (PubChem CID 670146) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-thiophen-2-ylacetamide
PubChem CID670146
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-(3-methylbutyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CCNC(=O)Cc1cccs1
InChIInChI=1S/C11H17NOS/c1-9(2)5-6-12-11(13)8-10-4-3-7-14-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,12,13)
InChIKeyCDMYSXJLHPNAKV-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-methylbutyl)-2-thiophen-2-ylacetamide (CID 670146) is N-(3-methylbutyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-methylbutyl)-2-thiophen-2-ylacetamide is CC(C)CCNC(=O)Cc1cccs1.
What is the InChIKey of N-(3-methylbutyl)-2-thiophen-2-ylacetamide?
The InChIKey is CDMYSXJLHPNAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(2)5-6-12-11(13)8-10-4-3-7-14-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,12,13).
What are the key properties of N-(3-methylbutyl)-2-thiophen-2-ylacetamide?
N-(3-methylbutyl)-2-thiophen-2-ylacetamide has a molecular weight of 211.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 670146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).