N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide

C17H25NO3S — CID 75446753

IUPACN-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC2CCC3(C2)OCCO3)cc1CC
InChIInChI=1S/C17H25NO3S/c1-3-5-14-12(4-2)10-15(22-14)16(19)18-13-6-7-17(11-13)20-8-9-21-17/h10,13H,3-9,11H2,1-2H3,(H,18,19)
InChIKeyQAYLSBUPMRRMNJ-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.29
Rot. Bonds5

About N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide

N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide (PubChem CID 75446753) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide
PubChem CID75446753
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NC2CCC3(C2)OCCO3)cc1CC
InChIInChI=1S/C17H25NO3S/c1-3-5-14-12(4-2)10-15(22-14)16(19)18-13-6-7-17(11-13)20-8-9-21-17/h10,13H,3-9,11H2,1-2H3,(H,18,19)
InChIKeyQAYLSBUPMRRMNJ-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide (CID 75446753) is N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NC2CCC3(C2)OCCO3)cc1CC.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide?
The InChIKey is QAYLSBUPMRRMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-3-5-14-12(4-2)10-15(22-14)16(19)18-13-6-7-17(11-13)20-8-9-21-17/h10,13H,3-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide?
N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-8-yl)-4-ethyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 75446753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).