N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide

C12H17NO2S — CID 71810319

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide
SMILESCOC(CNC(=O)C1CC1)c1ccc(C)s1
InChIInChI=1S/C12H17NO2S/c1-8-3-6-11(16-8)10(15-2)7-13-12(14)9-4-5-9/h3,6,9-10H,4-5,7H2,1-2H3,(H,13,14)
InChIKeyVATXPNOKIIDBGD-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.27
Rot. Bonds5

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 71810319) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID71810319
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide
SMILESCOC(CNC(=O)C1CC1)c1ccc(C)s1
InChIInChI=1S/C12H17NO2S/c1-8-3-6-11(16-8)10(15-2)7-13-12(14)9-4-5-9/h3,6,9-10H,4-5,7H2,1-2H3,(H,13,14)
InChIKeyVATXPNOKIIDBGD-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide (CID 71810319) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide is COC(CNC(=O)C1CC1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is VATXPNOKIIDBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-3-6-11(16-8)10(15-2)7-13-12(14)9-4-5-9/h3,6,9-10H,4-5,7H2,1-2H3,(H,13,14).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71810319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).