3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide

C22H25FN2O2S — CID 42815602

IUPAC3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide
SMILESCc1ccccc1C1SCC(=O)N1CCN(C(=O)c1cccc(F)c1)C(C)C
InChIInChI=1S/C22H25FN2O2S/c1-15(2)24(21(27)17-8-6-9-18(23)13-17)11-12-25-20(26)14-28-22(25)19-10-5-4-7-16(19)3/h4-10,13,15,22H,11-12,14H2,1-3H3
InChIKeyRNOASULDKCPBIP-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.26
Rot. Bonds6

About 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide

3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide (PubChem CID 42815602) has the molecular formula C22H25FN2O2S and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide
PubChem CID42815602
Molecular FormulaC22H25FN2O2S
Molecular Weight400.52 g/mol
Exact Mass400.16
IUPAC Name3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide
SMILESCc1ccccc1C1SCC(=O)N1CCN(C(=O)c1cccc(F)c1)C(C)C
InChIInChI=1S/C22H25FN2O2S/c1-15(2)24(21(27)17-8-6-9-18(23)13-17)11-12-25-20(26)14-28-22(25)19-10-5-4-7-16(19)3/h4-10,13,15,22H,11-12,14H2,1-3H3
InChIKeyRNOASULDKCPBIP-UHFFFAOYSA-N
XLogP4.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 42814699
N-[2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 46137577
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide
CID 42815317
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 80661580
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3771055
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826
N-[[(3S,4R)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 98634977

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide (CID 42815602) is 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide is Cc1ccccc1C1SCC(=O)N1CCN(C(=O)c1cccc(F)c1)C(C)C.
What is the InChIKey of 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide?
The InChIKey is RNOASULDKCPBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2S/c1-15(2)24(21(27)17-8-6-9-18(23)13-17)11-12-25-20(26)14-28-22(25)19-10-5-4-7-16(19)3/h4-10,13,15,22H,11-12,14H2,1-3H3.
What are the key properties of 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide?
3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 42815602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).