2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C21H20FNO2S — CID 41442393

IUPAC2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1
InChIInChI=1S/C21H20FNO2S/c1-14-10-15(2)12-18(11-14)25-13-20(24)23-21(19-4-3-9-26-19)16-5-7-17(22)8-6-16/h3-12,21H,13H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyAHVVHAVOCJQDFV-NRFANRHFSA-N
MW369.46 g/mol
LogP4.79
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 41442393) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID41442393
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1
InChIInChI=1S/C21H20FNO2S/c1-14-10-15(2)12-18(11-14)25-13-20(24)23-21(19-4-3-9-26-19)16-5-7-17(22)8-6-16/h3-12,21H,13H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyAHVVHAVOCJQDFV-NRFANRHFSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
CID 17492974
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27878401
2-(4-acetyl-2-methoxyphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8808304
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 17438634
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290917
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-oxopentanoate
CID 9199170
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348416
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 41442393) is 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is Cc1cc(C)cc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is AHVVHAVOCJQDFV-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-14-10-15(2)12-18(11-14)25-13-20(24)23-21(19-4-3-9-26-19)16-5-7-17(22)8-6-16/h3-12,21H,13H2,1-2H3,(H,23,24)/t21-/m0/s1.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 369.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 41442393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).