3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide

C21H21ClN4O6S — CID 90928240

IUPAC3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
SMILESNC(=O)C1(c2ccc(N3CCOCC3=O)cc2)CS(=O)(=O)CN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H21ClN4O6S/c22-16-3-1-2-4-17(16)24-20(29)26-13-33(30,31)12-21(26,19(23)28)14-5-7-15(8-6-14)25-9-10-32-11-18(25)27/h1-8H,9-13H2,(H2,23,28)(H,24,29)
InChIKeyNBJLSYSFPOYNRI-UHFFFAOYSA-N
MW492.94 g/mol
LogP1.30
Rot. Bonds4

About 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide

3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide (PubChem CID 90928240) has the molecular formula C21H21ClN4O6S and a molecular weight of 492.94 g/mol. Its IUPAC name is 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
PubChem CID90928240
Molecular FormulaC21H21ClN4O6S
Molecular Weight492.94 g/mol
Exact Mass492.09
IUPAC Name3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
SMILESNC(=O)C1(c2ccc(N3CCOCC3=O)cc2)CS(=O)(=O)CN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H21ClN4O6S/c22-16-3-1-2-4-17(16)24-20(29)26-13-33(30,31)12-21(26,19(23)28)14-5-7-15(8-6-14)25-9-10-32-11-18(25)27/h1-8H,9-13H2,(H2,23,28)(H,24,29)
InChIKeyNBJLSYSFPOYNRI-UHFFFAOYSA-N
XLogP1.30
TPSA139.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R)-1-(4-chlorophenyl)-4-hydroxy-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-1,2-dicarboxamide
CID 87632031
N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide
CID 118731963
(7aS)-1,3-dioxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447875
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352
1-[[3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-yl]methyl]-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 90825183
2-chloro-6-(3-oxomorpholin-4-yl)benzamide
CID 165482514
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
(2R,4R)-1-(4-ethynylphenyl)-4-hydroxy-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-1,2-dicarboxamide
CID 87648984
(2R)-1-(4-ethynylphenyl)-2-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-1,2-dicarboxamide
CID 87648030

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The IUPAC name of 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide (CID 90928240) is 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide.
What is the SMILES notation for 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The canonical SMILES for 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide is NC(=O)C1(c2ccc(N3CCOCC3=O)cc2)CS(=O)(=O)CN1C(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
The InChIKey is NBJLSYSFPOYNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O6S/c22-16-3-1-2-4-17(16)24-20(29)26-13-33(30,31)12-21(26,19(23)28)14-5-7-15(8-6-14)25-9-10-32-11-18(25)27/h1-8H,9-13H2,(H2,23,28)(H,24,29).
What are the key properties of 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide?
3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide has a molecular weight of 492.94 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chlorophenyl)-1,1-dioxo-4-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide is sourced from PubChem (CID 90928240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).