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

C18H16ClN3O3S — CID 15696971

IUPACN-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NN1C(=O)CSC1c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O3S/c19-14-8-4-7-13(9-14)18-22(16(24)11-26-18)21-15(23)10-20-17(25)12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,20,25)(H,21,23)
InChIKeyOGXWBDVNSZSINE-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.38
Rot. Bonds5

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

N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 15696971) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID15696971
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NN1C(=O)CSC1c1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O3S/c19-14-8-4-7-13(9-14)18-22(16(24)11-26-18)21-15(23)10-20-17(25)12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,20,25)(H,21,23)
InChIKeyOGXWBDVNSZSINE-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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Related Compounds

N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
CID 2681300
N2-{2-[2-(3-chlorobenzoyl)hydrazino]-2-oxoethyl}-4-methylthiophene-2-carboxamide
CID 2808314
3-chloro-N-(2-oxothiolan-3-yl)benzamide
CID 2769116
N-[2-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24661127
3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 2530449
N-[1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4797791
N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide
CID 6511112
Benzoic acid, m-chloro-, 2-(2-(benzylcarbamyol)ethyl)hydrazide
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N'-(3-chlorobenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
CID 17405608
3-chloro-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide
CID 24982095
N-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethyl]benzamide
CID 15696969
N-[2-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 15696970

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide (CID 15696971) is N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NN1C(=O)CSC1c1cccc(Cl)c1.
What is the InChIKey of N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is OGXWBDVNSZSINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-14-8-4-7-13(9-14)18-22(16(24)11-26-18)21-15(23)10-20-17(25)12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,20,25)(H,21,23).
What are the key properties of N-[2-[[2-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[2-(3-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-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 15696971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).