3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

C18H20FNO3S — CID 71806743

IUPAC3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3cccs3)CCOCC2)cc1F
InChIInChI=1S/C18H20FNO3S/c1-22-15-5-4-13(11-14(15)19)17(21)20-12-18(6-8-23-9-7-18)16-3-2-10-24-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,21)
InChIKeyHMBNUKNQEJOZRK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.37
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (PubChem CID 71806743) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
PubChem CID71806743
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(c3cccs3)CCOCC2)cc1F
InChIInChI=1S/C18H20FNO3S/c1-22-15-5-4-13(11-14(15)19)17(21)20-12-18(6-8-23-9-7-18)16-3-2-10-24-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,21)
InChIKeyHMBNUKNQEJOZRK-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150850
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943676

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (CID 71806743) is 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2(c3cccs3)CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The InChIKey is HMBNUKNQEJOZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-22-15-5-4-13(11-14(15)19)17(21)20-12-18(6-8-23-9-7-18)16-3-2-10-24-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,21).
What are the key properties of 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 71806743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).