N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide

C25H24N2O3S — CID 93125698

IUPACN-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
SMILESCCOc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-30-19-14-12-18(13-15-19)27-23(28)16-31-25(27)21-10-6-7-11-22(21)26-24(29)20-9-5-4-8-17(20)2/h4-15,25H,3,16H2,1-2H3,(H,26,29)/t25-/m1/s1
InChIKeyQDXMEFAMWRSBHC-RUZDIDTESA-N
MW432.55 g/mol
LogP5.42
Rot. Bonds6

About N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide

N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide (PubChem CID 93125698) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
PubChem CID93125698
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
SMILESCCOc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-30-19-14-12-18(13-15-19)27-23(28)16-31-25(27)21-10-6-7-11-22(21)26-24(29)20-9-5-4-8-17(20)2/h4-15,25H,3,16H2,1-2H3,(H,26,29)/t25-/m1/s1
InChIKeyQDXMEFAMWRSBHC-RUZDIDTESA-N
XLogP5.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]furan-2-carboxamide
CID 42805133
N-[2-[(2R)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93126420
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
CID 42805280
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93125713
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
2-methyl-N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804082
2-chloro-N-[2-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127334
ethyl 4-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]anilino]-4-oxobutanoate
CID 93125737
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide (CID 93125698) is N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide is CCOc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The InChIKey is QDXMEFAMWRSBHC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-30-19-14-12-18(13-15-19)27-23(28)16-31-25(27)21-10-6-7-11-22(21)26-24(29)20-9-5-4-8-17(20)2/h4-15,25H,3,16H2,1-2H3,(H,26,29)/t25-/m1/s1.
What are the key properties of N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide has a molecular weight of 432.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 93125698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).