N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C22H24ClN3O5S — CID 22695295

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C22H24ClN3O5S/c23-18-6-4-16(5-7-18)20(25-9-11-31-12-10-25)15-24-22(28)17-2-1-3-19(14-17)26-21(27)8-13-32(26,29)30/h1-7,14,20H,8-13,15H2,(H,24,28)
InChIKeyQJJOBOQUAAPUMR-UHFFFAOYSA-N
MW477.97 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 22695295) has the molecular formula C22H24ClN3O5S and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID22695295
Molecular FormulaC22H24ClN3O5S
Molecular Weight477.97 g/mol
Exact Mass477.11
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C22H24ClN3O5S/c23-18-6-4-16(5-7-18)20(25-9-11-31-12-10-25)15-24-22(28)17-2-1-3-19(14-17)26-21(27)8-13-32(26,29)30/h1-7,14,20H,8-13,15H2,(H,24,28)
InChIKeyQJJOBOQUAAPUMR-UHFFFAOYSA-N
XLogP2.21
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 22695295) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is QJJOBOQUAAPUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5S/c23-18-6-4-16(5-7-18)20(25-9-11-31-12-10-25)15-24-22(28)17-2-1-3-19(14-17)26-21(27)8-13-32(26,29)30/h1-7,14,20H,8-13,15H2,(H,24,28).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 477.97 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 22695295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).