N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

C12H15ClN2O3S — CID 86998643

IUPACN-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C12H15ClN2O3S/c1-9-3-4-10(13)7-11(9)14-12(16)8-15-5-2-6-19(15,17)18/h3-4,7H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyBEUSLFUDBBPXCB-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.62
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (PubChem CID 86998643) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
PubChem CID86998643
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C12H15ClN2O3S/c1-9-3-4-10(13)7-11(9)14-12(16)8-15-5-2-6-19(15,17)18/h3-4,7H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyBEUSLFUDBBPXCB-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[5-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 46343852
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 46343871
N-(5-chloro-2-methylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734054
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(2-amino-4,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 43619929
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147604
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086171
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide (CID 86998643) is N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1CCCS1(=O)=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
The InChIKey is BEUSLFUDBBPXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-9-3-4-10(13)7-11(9)14-12(16)8-15-5-2-6-19(15,17)18/h3-4,7H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide has a molecular weight of 302.78 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide is sourced from PubChem (CID 86998643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).