N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide

C14H14ClN3O4S — CID 108524156

IUPACN'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C14H14ClN3O4S/c1-8-6-9(15)2-3-10(8)17-13(21)12(20)16-4-5-18-11(19)7-23-14(18)22/h2-3,6H,4-5,7H2,1H3,(H,16,20)(H,17,21)
InChIKeyBZNUFOYDTNNIDP-UHFFFAOYSA-N
MW355.80 g/mol
LogP1.40
Rot. Bonds4

About N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide

N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide (PubChem CID 108524156) has the molecular formula C14H14ClN3O4S and a molecular weight of 355.80 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
PubChem CID108524156
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C14H14ClN3O4S/c1-8-6-9(15)2-3-10(8)17-13(21)12(20)16-4-5-18-11(19)7-23-14(18)22/h2-3,6H,4-5,7H2,1H3,(H,16,20)(H,17,21)
InChIKeyBZNUFOYDTNNIDP-UHFFFAOYSA-N
XLogP1.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108507812
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 108894217
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512666
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 4910885
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519241
butyl 2-[[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108514698
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620305
2-(3,4-dichlorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 52717864
N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108524113

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide (CID 108524156) is N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NCCN1C(=O)CSC1=O.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
The InChIKey is BZNUFOYDTNNIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S/c1-8-6-9(15)2-3-10(8)17-13(21)12(20)16-4-5-18-11(19)7-23-14(18)22/h2-3,6H,4-5,7H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide?
N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide has a molecular weight of 355.80 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide is sourced from PubChem (CID 108524156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).