4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C17H16ClN3O4S — CID 46307090

IUPAC4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)CS3(=O)=O)c2)ccn1
InChIInChI=1S/C17H16ClN3O4S/c1-10-9-26(24,25)21(17(10)23)15-8-12(3-4-14(15)18)16(22)20-13-5-6-19-11(2)7-13/h3-8,10H,9H2,1-2H3,(H,19,20,22)
InChIKeyGBMSBRFMNWFRNE-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.61
Rot. Bonds3

About 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 46307090) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID46307090
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)CS3(=O)=O)c2)ccn1
InChIInChI=1S/C17H16ClN3O4S/c1-10-9-26(24,25)21(17(10)23)15-8-12(3-4-14(15)18)16(22)20-13-5-6-19-11(2)7-13/h3-8,10H,9H2,1-2H3,(H,19,20,22)
InChIKeyGBMSBRFMNWFRNE-UHFFFAOYSA-N
XLogP2.61
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307015
N-(3-bromo-4-methylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307044
N-(4-acetylphenyl)-4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307062
4-chloro-N-(1H-indazol-6-yl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307079
4-chloro-N-(2-methoxyphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 46307045
4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46307056
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
N-(3-chloro-4-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996707
1-[4-chloro-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 46306967
N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282
N-(2-methyl-4-pyridinyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692425
N-(3-methylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 46307090) is 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)CS3(=O)=O)c2)ccn1.
What is the InChIKey of 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is GBMSBRFMNWFRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-10-9-26(24,25)21(17(10)23)15-8-12(3-4-14(15)18)16(22)20-13-5-6-19-11(2)7-13/h3-8,10H,9H2,1-2H3,(H,19,20,22).
What are the key properties of 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 393.85 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-4-pyridinyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 46307090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).