3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide

C22H23ClN4O4S — CID 66593247

IUPAC3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CSCN2C(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1=O
InChIInChI=1S/C22H23ClN4O4S/c1-14-10-17(6-7-18(14)26-8-9-31-11-20(26)28)24-21(29)19-12-32-13-27(19)22(30)25-16-4-2-15(23)3-5-16/h2-7,10,19H,8-9,11-13H2,1H3,(H,24,29)(H,25,30)
InChIKeyBRMKYFOJUJGHTK-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.56
Rot. Bonds4

About 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide

3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide (PubChem CID 66593247) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
PubChem CID66593247
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC Name3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CSCN2C(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1=O
InChIInChI=1S/C22H23ClN4O4S/c1-14-10-17(6-7-18(14)26-8-9-31-11-20(26)28)24-21(29)19-12-32-13-27(19)22(30)25-16-4-2-15(23)3-5-16/h2-7,10,19H,8-9,11-13H2,1H3,(H,24,29)(H,25,30)
InChIKeyBRMKYFOJUJGHTK-UHFFFAOYSA-N
XLogP3.56
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The IUPAC name of 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide (CID 66593247) is 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide.
What is the SMILES notation for 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The canonical SMILES for 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide is Cc1cc(NC(=O)C2CSCN2C(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1=O.
What is the InChIKey of 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The InChIKey is BRMKYFOJUJGHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-14-10-17(6-7-18(14)26-8-9-31-11-20(26)28)24-21(29)19-12-32-13-27(19)22(30)25-16-4-2-15(23)3-5-16/h2-7,10,19H,8-9,11-13H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide has a molecular weight of 474.97 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide is sourced from PubChem (CID 66593247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).