N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide

C13H19NOS — CID 42957019

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide
SMILESCc1cc(C(C)NC(=O)C2CCC2)c(C)s1
InChIInChI=1S/C13H19NOS/c1-8-7-12(10(3)16-8)9(2)14-13(15)11-5-4-6-11/h7,9,11H,4-6H2,1-3H3,(H,14,15)
InChIKeyXFYBNMDZMIBDNN-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.34
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide (PubChem CID 42957019) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide
PubChem CID42957019
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide
SMILESCc1cc(C(C)NC(=O)C2CCC2)c(C)s1
InChIInChI=1S/C13H19NOS/c1-8-7-12(10(3)16-8)9(2)14-13(15)11-5-4-6-11/h7,9,11H,4-6H2,1-3H3,(H,14,15)
InChIKeyXFYBNMDZMIBDNN-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide (CID 42957019) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide is Cc1cc(C(C)NC(=O)C2CCC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is XFYBNMDZMIBDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-8-7-12(10(3)16-8)9(2)14-13(15)11-5-4-6-11/h7,9,11H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 42957019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).