(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide

C21H20FNO2S — CID 41441488

IUPAC(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C21H20FNO2S/c1-14-5-11-18(12-6-14)25-15(2)21(24)23-20(19-4-3-13-26-19)16-7-9-17(22)10-8-16/h3-13,15,20H,1-2H3,(H,23,24)/t15-,20+/m0/s1
InChIKeyUBENVCJTZWYTDT-MGPUTAFESA-N
MW369.46 g/mol
LogP4.87
Rot. Bonds6

About (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide

(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide (PubChem CID 41441488) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide
PubChem CID41441488
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC Name(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C21H20FNO2S/c1-14-5-11-18(12-6-14)25-15(2)21(24)23-20(19-4-3-13-26-19)16-7-9-17(22)10-8-16/h3-13,15,20H,1-2H3,(H,23,24)/t15-,20+/m0/s1
InChIKeyUBENVCJTZWYTDT-MGPUTAFESA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348416
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55525316
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide (CID 41441488) is (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1.
What is the InChIKey of (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is UBENVCJTZWYTDT-MGPUTAFESA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-14-5-11-18(12-6-14)25-15(2)21(24)23-20(19-4-3-13-26-19)16-7-9-17(22)10-8-16/h3-13,15,20H,1-2H3,(H,23,24)/t15-,20+/m0/s1.
What are the key properties of (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide?
(2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 369.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 41441488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).