N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide

C24H29FN2O4S — CID 42815317

IUPACN-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide
SMILESCOc1ccc(OC)c(C2SC(C)C(=O)N2CCN(C(=O)c2cccc(F)c2)C(C)C)c1
InChIInChI=1S/C24H29FN2O4S/c1-15(2)26(23(29)17-7-6-8-18(25)13-17)11-12-27-22(28)16(3)32-24(27)20-14-19(30-4)9-10-21(20)31-5/h6-10,13-16,24H,11-12H2,1-5H3
InChIKeyGKLATEHOKXFQAA-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.36
Rot. Bonds8

About N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide

N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide (PubChem CID 42815317) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide
PubChem CID42815317
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide
SMILESCOc1ccc(OC)c(C2SC(C)C(=O)N2CCN(C(=O)c2cccc(F)c2)C(C)C)c1
InChIInChI=1S/C24H29FN2O4S/c1-15(2)26(23(29)17-7-6-8-18(25)13-17)11-12-27-22(28)16(3)32-24(27)20-14-19(30-4)9-10-21(20)31-5/h6-10,13-16,24H,11-12H2,1-5H3
InChIKeyGKLATEHOKXFQAA-UHFFFAOYSA-N
XLogP4.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795940
N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42815296
2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795938
N-[2-[(2S,5S)-2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-ethyl-3-fluorobenzamide
CID 93143247
2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42815159
3-fluoro-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylbenzamide
CID 42815602
(2R,5S)-2-(2,5-dimethoxyphenyl)-3-[[1-(4-fluorobenzoyl)piperidin-4-yl]methyl]-5-methyl-1,3-thiazolidin-4-one
CID 93306805
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
N-(2-chloroethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 63393651
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 80661580
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759842
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide (CID 42815317) is N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide is COc1ccc(OC)c(C2SC(C)C(=O)N2CCN(C(=O)c2cccc(F)c2)C(C)C)c1.
What is the InChIKey of N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide?
The InChIKey is GKLATEHOKXFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-15(2)26(23(29)17-7-6-8-18(25)13-17)11-12-27-22(28)16(3)32-24(27)20-14-19(30-4)9-10-21(20)31-5/h6-10,13-16,24H,11-12H2,1-5H3.
What are the key properties of N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide?
N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide has a molecular weight of 460.57 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 42815317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).