N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide

C12H19NOS — CID 94635896

IUPACN-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide
SMILESCCC(CC)[C@H](NC(C)=O)c1cccs1
InChIInChI=1S/C12H19NOS/c1-4-10(5-2)12(13-9(3)14)11-7-6-8-15-11/h6-8,10,12H,4-5H2,1-3H3,(H,13,14)/t12-/m0/s1
InChIKeyDGHORPOXSMAIHN-LBPRGKRZSA-N
MW225.36 g/mol
LogP3.36
Rot. Bonds5

About N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide

N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide (PubChem CID 94635896) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide
PubChem CID94635896
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide
SMILESCCC(CC)[C@H](NC(C)=O)c1cccs1
InChIInChI=1S/C12H19NOS/c1-4-10(5-2)12(13-9(3)14)11-7-6-8-15-11/h6-8,10,12H,4-5H2,1-3H3,(H,13,14)/t12-/m0/s1
InChIKeyDGHORPOXSMAIHN-LBPRGKRZSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide?
The IUPAC name of N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide (CID 94635896) is N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide.
What is the SMILES notation for N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide?
The canonical SMILES for N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide is CCC(CC)[C@H](NC(C)=O)c1cccs1.
What is the InChIKey of N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide?
The InChIKey is DGHORPOXSMAIHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-10(5-2)12(13-9(3)14)11-7-6-8-15-11/h6-8,10,12H,4-5H2,1-3H3,(H,13,14)/t12-/m0/s1.
What are the key properties of N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide?
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide has a molecular weight of 225.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]acetamide is sourced from PubChem (CID 94635896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).