N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide

C18H21NO3S — CID 7243533

IUPACN-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C18H21NO3S/c1-2-22-15-7-5-14(6-8-15)19-17(20)18(9-11-21-12-10-18)16-4-3-13-23-16/h3-8,13H,2,9-12H2,1H3,(H,19,20)
InChIKeyPABIPACHUNVTQD-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.83
Rot. Bonds5

About N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide

N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243533) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243533
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C18H21NO3S/c1-2-22-15-7-5-14(6-8-15)19-17(20)18(9-11-21-12-10-18)16-4-3-13-23-16/h3-8,13H,2,9-12H2,1H3,(H,19,20)
InChIKeyPABIPACHUNVTQD-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243533) is N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide is CCOc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is PABIPACHUNVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-2-22-15-7-5-14(6-8-15)19-17(20)18(9-11-21-12-10-18)16-4-3-13-23-16/h3-8,13H,2,9-12H2,1H3,(H,19,20).
What are the key properties of N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).