N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C14H15Cl2N3O3S — CID 9089490

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1CCSC1=O
InChIInChI=1S/C14H15Cl2N3O3S/c1-18(12(21)8-19-5-6-23-14(19)22)7-11(20)17-13-9(15)3-2-4-10(13)16/h2-4H,5-8H2,1H3,(H,17,20)
InChIKeyZJKCYEWJGMELDU-UHFFFAOYSA-N
MW376.27 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9089490) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9089490
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1CCSC1=O
InChIInChI=1S/C14H15Cl2N3O3S/c1-18(12(21)8-19-5-6-23-14(19)22)7-11(20)17-13-9(15)3-2-4-10(13)16/h2-4H,5-8H2,1H3,(H,17,20)
InChIKeyZJKCYEWJGMELDU-UHFFFAOYSA-N
XLogP2.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 46485457
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9426700
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46565159
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 78765237
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26021542
2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78772127
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 27807625

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9089490) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1CCSC1=O.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ZJKCYEWJGMELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3S/c1-18(12(21)8-19-5-6-23-14(19)22)7-11(20)17-13-9(15)3-2-4-10(13)16/h2-4H,5-8H2,1H3,(H,17,20).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 376.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9089490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).