N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide

C11H17NO2S — CID 166523838

IUPACN-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1sccc1OC)C(C)C
InChIInChI=1S/C11H17NO2S/c1-5-12(8(2)3)11(13)10-9(14-4)6-7-15-10/h6-8H,5H2,1-4H3
InChIKeyVEWCGGSDEDQPKL-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.63
Rot. Bonds4

About N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide

N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 166523838) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
PubChem CID166523838
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1sccc1OC)C(C)C
InChIInChI=1S/C11H17NO2S/c1-5-12(8(2)3)11(13)10-9(14-4)6-7-15-10/h6-8H,5H2,1-4H3
InChIKeyVEWCGGSDEDQPKL-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide (CID 166523838) is N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide is CCN(C(=O)c1sccc1OC)C(C)C.
What is the InChIKey of N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is VEWCGGSDEDQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-5-12(8(2)3)11(13)10-9(14-4)6-7-15-10/h6-8H,5H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide?
N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 166523838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).