N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide

C20H18FNO2S — CID 17492974

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC(c2ccc(F)cc2)c2cccs2)c1
InChIInChI=1S/C20H18FNO2S/c1-14-4-2-5-17(12-14)24-13-19(23)22-20(18-6-3-11-25-18)15-7-9-16(21)10-8-15/h2-12,20H,13H2,1H3,(H,22,23)
InChIKeyJVHZDSMVSBGQJL-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.48
Rot. Bonds6

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 17492974) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
PubChem CID17492974
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC(c2ccc(F)cc2)c2cccs2)c1
InChIInChI=1S/C20H18FNO2S/c1-14-4-2-5-17(12-14)24-13-19(23)22-20(18-6-3-11-25-18)15-7-9-16(21)10-8-15/h2-12,20H,13H2,1H3,(H,22,23)
InChIKeyJVHZDSMVSBGQJL-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 17438634
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27878401
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 24613805
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348416
2-(4-acetyl-2-methoxyphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8808304
[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 46613600

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide (CID 17492974) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NC(c2ccc(F)cc2)c2cccs2)c1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is JVHZDSMVSBGQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-14-4-2-5-17(12-14)24-13-19(23)22-20(18-6-3-11-25-18)15-7-9-16(21)10-8-15/h2-12,20H,13H2,1H3,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 355.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 17492974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).