N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide

C17H18FNO2S — CID 7243529

IUPACN-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C17H18FNO2S/c18-14-5-3-13(4-6-14)12-19-16(20)17(7-9-21-10-8-17)15-2-1-11-22-15/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyLOGBTBGBKLSHIV-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide

N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243529) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243529
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C17H18FNO2S/c18-14-5-3-13(4-6-14)12-19-16(20)17(7-9-21-10-8-17)15-2-1-11-22-15/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyLOGBTBGBKLSHIV-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
N-(3-fluorobenzyl)-2-thien-2-ylacetamide
CID 16193558
N-isopentyl-4-(thiophen-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 7217405
N-[(4-phenyloxan-4-yl)methyl]thiophene-2-carboxamide
CID 899095
N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7243515
N-(1-phenylethyl)-4-(thiophen-2-yl)oxane-4-carboxamide
CID 12005899
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 803077
N-benzhydryl-4-thiophen-2-yloxane-4-carboxamide
CID 7243574
N-(4-chlorophenethyl)-4-(2-thienyl)tetrahydro-2H-pyran-4-carboxamide
CID 7243532
2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4784852
N-[(4-Chlorophenyl)methyl]-4-(thiophen-2-YL)oxane-4-carboxamide
CID 7243516

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide (CID 7243529) is N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide is O=C(NCc1ccc(F)cc1)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is LOGBTBGBKLSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-5-3-13(4-6-14)12-19-16(20)17(7-9-21-10-8-17)15-2-1-11-22-15/h1-6,11H,7-10,12H2,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).