N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide

C20H24N2O4S — CID 110353737

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-15(13-16-7-4-3-5-8-16)20(23)21-18-14-17(9-10-19(18)26-2)22-11-6-12-27(22,24)25/h3-5,7-10,14-15H,6,11-13H2,1-2H3,(H,21,23)
InChIKeyNJAFXYXKTQCGCJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.05
Rot. Bonds6

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide (PubChem CID 110353737) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide
PubChem CID110353737
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-15(13-16-7-4-3-5-8-16)20(23)21-18-14-17(9-10-19(18)26-2)22-11-6-12-27(22,24)25/h3-5,7-10,14-15H,6,11-13H2,1-2H3,(H,21,23)
InChIKeyNJAFXYXKTQCGCJ-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302299
(E)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-phenylbut-2-enamide
CID 110304501
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea
CID 30375278
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 43955579
3-acetamido-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propanamide
CID 110421393
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
CID 110302278
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide
CID 44901585
5-chloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 7483243
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propane-2-sulfonamide
CID 7635616
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 7483289
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide (CID 110353737) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide is COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(C)Cc1ccccc1.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide?
The InChIKey is NJAFXYXKTQCGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(13-16-7-4-3-5-8-16)20(23)21-18-14-17(9-10-19(18)26-2)22-11-6-12-27(22,24)25/h3-5,7-10,14-15H,6,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide has a molecular weight of 388.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 110353737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).