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

C17H14FNO2S2 — CID 119104238

IUPAC3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2ccsc2)c2cccs2)cc1F
InChIInChI=1S/C17H14FNO2S2/c1-21-14-5-4-11(9-13(14)18)17(20)19-16(12-6-8-22-10-12)15-3-2-7-23-15/h2-10,16H,1H3,(H,19,20)
InChIKeyYGQBTPZFXWXVOT-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.48
Rot. Bonds5

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

3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide (PubChem CID 119104238) has the molecular formula C17H14FNO2S2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
PubChem CID119104238
Molecular FormulaC17H14FNO2S2
Molecular Weight347.44 g/mol
Exact Mass347.04
IUPAC Name3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2ccsc2)c2cccs2)cc1F
InChIInChI=1S/C17H14FNO2S2/c1-21-14-5-4-11(9-13(14)18)17(20)19-16(12-6-8-22-10-12)15-3-2-7-23-15/h2-10,16H,1H3,(H,19,20)
InChIKeyYGQBTPZFXWXVOT-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 121021382
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
2-[(3-fluoro-4-methoxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283909
2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354524
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 8540773
(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
CID 119104226
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide
CID 121021406
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
2-(2-fluorophenoxy)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 129355138
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide (CID 119104238) is 3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide is COc1ccc(C(=O)NC(c2ccsc2)c2cccs2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The InChIKey is YGQBTPZFXWXVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S2/c1-21-14-5-4-11(9-13(14)18)17(20)19-16(12-6-8-22-10-12)15-3-2-7-23-15/h2-10,16H,1H3,(H,19,20).
What are the key properties of 3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 4.48, 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-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide is sourced from PubChem (CID 119104238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).