N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide

C21H24N2O3S — CID 42804701

IUPACN-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-21(2,3)20(25)22-15-7-5-14(6-8-15)19-23(18(24)13-27-19)16-9-11-17(26-4)12-10-16/h5-12,19H,13H2,1-4H3,(H,22,25)
InChIKeyVYJONFFTVJDWAO-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.46
Rot. Bonds4

About N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide

N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 42804701) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID42804701
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-21(2,3)20(25)22-15-7-5-14(6-8-15)19-23(18(24)13-27-19)16-9-11-17(26-4)12-10-16/h5-12,19H,13H2,1-4H3,(H,22,25)
InChIKeyVYJONFFTVJDWAO-UHFFFAOYSA-N
XLogP4.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
2,2-dimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 93126889
3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125382
2-fluoro-N-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125379
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
4-methoxy-N-[4-[(2R)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127065
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 93005213

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide (CID 42804701) is N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide is COc1ccc(N2C(=O)CSC2c2ccc(NC(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is VYJONFFTVJDWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-21(2,3)20(25)22-15-7-5-14(6-8-15)19-23(18(24)13-27-19)16-9-11-17(26-4)12-10-16/h5-12,19H,13H2,1-4H3,(H,22,25).
What are the key properties of N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 384.50 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42804701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).