2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide

C20H18ClN5O3S — CID 55617377

IUPAC2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
SMILESCc1ccc(-n2cnnc2SCC(=O)Nc2cccc(N3CCOC3=O)c2)cc1Cl
InChIInChI=1S/C20H18ClN5O3S/c1-13-5-6-16(10-17(13)21)26-12-22-24-19(26)30-11-18(27)23-14-3-2-4-15(9-14)25-7-8-29-20(25)28/h2-6,9-10,12H,7-8,11H2,1H3,(H,23,27)
InChIKeyHYOVGPTWGMMRIB-UHFFFAOYSA-N
MW443.92 g/mol
LogP3.92
Rot. Bonds6

About 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide

2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide (PubChem CID 55617377) has the molecular formula C20H18ClN5O3S and a molecular weight of 443.92 g/mol. Its IUPAC name is 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
PubChem CID55617377
Molecular FormulaC20H18ClN5O3S
Molecular Weight443.92 g/mol
Exact Mass443.08
IUPAC Name2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
SMILESCc1ccc(-n2cnnc2SCC(=O)Nc2cccc(N3CCOC3=O)c2)cc1Cl
InChIInChI=1S/C20H18ClN5O3S/c1-13-5-6-16(10-17(13)21)26-12-22-24-19(26)30-11-18(27)23-14-3-2-4-15(9-14)25-7-8-29-20(25)28/h2-6,9-10,12H,7-8,11H2,1H3,(H,23,27)
InChIKeyHYOVGPTWGMMRIB-UHFFFAOYSA-N
XLogP3.92
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 40583388
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55525609
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 24662778
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 40583352
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 24663674
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 24662734
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55814387
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 24662746
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propylphenyl)acetamide
CID 55468003
N-(5-chloro-2-methylphenyl)-2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40583356
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 40583406
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 40583395

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide (CID 55617377) is 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide is Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(N3CCOC3=O)c2)cc1Cl.
What is the InChIKey of 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide?
The InChIKey is HYOVGPTWGMMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3S/c1-13-5-6-16(10-17(13)21)26-12-22-24-19(26)30-11-18(27)23-14-3-2-4-15(9-14)25-7-8-29-20(25)28/h2-6,9-10,12H,7-8,11H2,1H3,(H,23,27).
What are the key properties of 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide?
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide has a molecular weight of 443.92 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide is sourced from PubChem (CID 55617377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).