2-(thiophen-2-ylmethoxy)butanamide

C9H13NO2S — CID 62898972

IUPAC2-(thiophen-2-ylmethoxy)butanamide
SMILESCCC(OCc1cccs1)C(N)=O
InChIInChI=1S/C9H13NO2S/c1-2-8(9(10)11)12-6-7-4-3-5-13-7/h3-5,8H,2,6H2,1H3,(H2,10,11)
InChIKeyMPJXADAYXZRGFX-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.53
Rot. Bonds5

About 2-(thiophen-2-ylmethoxy)butanamide

2-(thiophen-2-ylmethoxy)butanamide (PubChem CID 62898972) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethoxy)butanamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethoxy)butanamide
PubChem CID62898972
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(thiophen-2-ylmethoxy)butanamide
SMILESCCC(OCc1cccs1)C(N)=O
InChIInChI=1S/C9H13NO2S/c1-2-8(9(10)11)12-6-7-4-3-5-13-7/h3-5,8H,2,6H2,1H3,(H2,10,11)
InChIKeyMPJXADAYXZRGFX-UHFFFAOYSA-N
XLogP1.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(thiophen-2-ylmethoxy)butanehydrazide
CID 63568785
2-(2-thiophen-2-ylethoxy)butanehydrazide
CID 63568621
2-(4-methylphenoxy)-3-thiophen-2-ylpropanamide
CID 135281307
2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
CID 114995683
4-methoxy-1-thiophen-2-ylhexan-3-one
CID 116707110
4-(thiophen-2-ylmethoxy)pentanoic acid
CID 62215052
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277
thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
CID 115285074
thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
CID 66167892
3-(thiophen-2-ylmethoxy)butan-1-amine
CID 114995869
1-chloroethyl thiophen-2-ylmethyl carbonate
CID 19937872

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethoxy)butanamide?
The IUPAC name of 2-(thiophen-2-ylmethoxy)butanamide (CID 62898972) is 2-(thiophen-2-ylmethoxy)butanamide.
What is the SMILES notation for 2-(thiophen-2-ylmethoxy)butanamide?
The canonical SMILES for 2-(thiophen-2-ylmethoxy)butanamide is CCC(OCc1cccs1)C(N)=O.
What is the InChIKey of 2-(thiophen-2-ylmethoxy)butanamide?
The InChIKey is MPJXADAYXZRGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-8(9(10)11)12-6-7-4-3-5-13-7/h3-5,8H,2,6H2,1H3,(H2,10,11).
What are the key properties of 2-(thiophen-2-ylmethoxy)butanamide?
2-(thiophen-2-ylmethoxy)butanamide has a molecular weight of 199.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethoxy)butanamide is sourced from PubChem (CID 62898972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).