N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide

C18H21NO2S — CID 12005899

IUPACN-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCC(NC(=O)C1(c2cccs2)CCOCC1)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14(15-6-3-2-4-7-15)19-17(20)18(9-11-21-12-10-18)16-8-5-13-22-16/h2-8,13-14H,9-12H2,1H3,(H,19,20)
InChIKeyKPPPAVKGKVTTFN-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds4

About N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide

N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 12005899) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID12005899
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCC(NC(=O)C1(c2cccs2)CCOCC1)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-14(15-6-3-2-4-7-15)19-17(20)18(9-11-21-12-10-18)16-8-5-13-22-16/h2-8,13-14H,9-12H2,1H3,(H,19,20)
InChIKeyKPPPAVKGKVTTFN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide (CID 12005899) is N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide is CC(NC(=O)C1(c2cccs2)CCOCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is KPPPAVKGKVTTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14(15-6-3-2-4-7-15)19-17(20)18(9-11-21-12-10-18)16-8-5-13-22-16/h2-8,13-14H,9-12H2,1H3,(H,19,20).
What are the key properties of N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 12005899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).