N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide

C18H16ClN3O3S — CID 15696970

IUPACN-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NN1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O3S/c19-14-9-5-4-8-13(14)18-22(16(24)11-26-18)21-15(23)10-20-17(25)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,20,25)(H,21,23)
InChIKeyZYXCZVOBYHZGJK-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.38
Rot. Bonds5

About N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide

N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 15696970) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID15696970
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NN1C(=O)CSC1c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O3S/c19-14-9-5-4-8-13(14)18-22(16(24)11-26-18)21-15(23)10-20-17(25)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,20,25)(H,21,23)
InChIKeyZYXCZVOBYHZGJK-UHFFFAOYSA-N
XLogP2.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide (CID 15696970) is N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NN1C(=O)CSC1c1ccccc1Cl.
What is the InChIKey of N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZYXCZVOBYHZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-14-9-5-4-8-13(14)18-22(16(24)11-26-18)21-15(23)10-20-17(25)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,20,25)(H,21,23).
What are the key properties of N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 389.86 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 15696970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).