2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide

C21H24N2O2S — CID 42805213

IUPAC2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
SMILESCc1ccc(N2C(=O)CSC2c2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-14-5-11-17(12-6-14)23-18(24)13-26-19(23)15-7-9-16(10-8-15)22-20(25)21(2,3)4/h5-12,19H,13H2,1-4H3,(H,22,25)
InChIKeyMCKIIQIONPBEKT-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.76
Rot. Bonds3

About 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide

2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide (PubChem CID 42805213) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
PubChem CID42805213
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
SMILESCc1ccc(N2C(=O)CSC2c2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-14-5-11-17(12-6-14)23-18(24)13-26-19(23)15-7-9-16(10-8-15)22-20(25)21(2,3)4/h5-12,19H,13H2,1-4H3,(H,22,25)
InChIKeyMCKIIQIONPBEKT-UHFFFAOYSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide (CID 42805213) is 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide is Cc1ccc(N2C(=O)CSC2c2ccc(NC(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide?
The InChIKey is MCKIIQIONPBEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14-5-11-17(12-6-14)23-18(24)13-26-19(23)15-7-9-16(10-8-15)22-20(25)21(2,3)4/h5-12,19H,13H2,1-4H3,(H,22,25).
What are the key properties of 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide?
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide has a molecular weight of 368.50 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide is sourced from PubChem (CID 42805213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).