2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide

C21H21FN2O2S — CID 97316685

IUPAC2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide
SMILESCC[C@@H](CNC(=O)Cn1c(-c2cccc(F)c2)csc1=O)c1ccccc1
InChIInChI=1S/C21H21FN2O2S/c1-2-15(16-7-4-3-5-8-16)12-23-20(25)13-24-19(14-27-21(24)26)17-9-6-10-18(22)11-17/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyGLBIJHKRRRZNJO-HNNXBMFYSA-N
MW384.48 g/mol
LogP4.03
Rot. Bonds7

About 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide

2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide (PubChem CID 97316685) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide
PubChem CID97316685
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide
SMILESCC[C@@H](CNC(=O)Cn1c(-c2cccc(F)c2)csc1=O)c1ccccc1
InChIInChI=1S/C21H21FN2O2S/c1-2-15(16-7-4-3-5-8-16)12-23-20(25)13-24-19(14-27-21(24)26)17-9-6-10-18(22)11-17/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyGLBIJHKRRRZNJO-HNNXBMFYSA-N
XLogP4.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 82225372
N-(4-ethylphenyl)-2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 75463858
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
CID 134008249
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide
CID 51190392
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-2-phenylbutyl]acetamide
CID 30749964
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
N-(2-phenylbutyl)-3-thiophen-3-ylpropanamide
CID 78801224
2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768197
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]azanium
CID 8676462
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8676463

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The IUPAC name of 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide (CID 97316685) is 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The canonical SMILES for 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide is CC[C@@H](CNC(=O)Cn1c(-c2cccc(F)c2)csc1=O)c1ccccc1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The InChIKey is GLBIJHKRRRZNJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-2-15(16-7-4-3-5-8-16)12-23-20(25)13-24-19(14-27-21(24)26)17-9-6-10-18(22)11-17/h3-11,14-15H,2,12-13H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide?
2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]-N-[(2R)-2-phenylbutyl]acetamide is sourced from PubChem (CID 97316685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).