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

C18H21NO2S — CID 7243560

IUPACN-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C18H21NO2S/c1-2-14-5-7-15(8-6-14)19-17(20)18(9-11-21-12-10-18)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,19,20)
InChIKeyCFXDRBRBVIPTQX-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.00
Rot. Bonds4

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

N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243560) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243560
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCCc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C18H21NO2S/c1-2-14-5-7-15(8-6-14)19-17(20)18(9-11-21-12-10-18)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,19,20)
InChIKeyCFXDRBRBVIPTQX-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243560) is N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide is CCc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is CFXDRBRBVIPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-2-14-5-7-15(8-6-14)19-17(20)18(9-11-21-12-10-18)16-4-3-13-22-16/h3-8,13H,2,9-12H2,1H3,(H,19,20).
What are the key properties of N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).