2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

C18H13ClF3N3O4S — CID 166493198

IUPAC2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1nnc(C(F)(F)F)o1
InChIInChI=1S/C18H13ClF3N3O4S/c1-30(27,28)14-9-11(23-15(26)8-10-4-2-3-5-13(10)19)6-7-12(14)16-24-25-17(29-16)18(20,21)22/h2-7,9H,8H2,1H3,(H,23,26)
InChIKeyYLYUEKSTDDEICU-UHFFFAOYSA-N
MW459.83 g/mol
LogP3.99
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 166493198) has the molecular formula C18H13ClF3N3O4S and a molecular weight of 459.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID166493198
Molecular FormulaC18H13ClF3N3O4S
Molecular Weight459.83 g/mol
Exact Mass459.03
IUPAC Name2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1nnc(C(F)(F)F)o1
InChIInChI=1S/C18H13ClF3N3O4S/c1-30(27,28)14-9-11(23-15(26)8-10-4-2-3-5-13(10)19)6-7-12(14)16-24-25-17(29-16)18(20,21)22/h2-7,9H,8H2,1H3,(H,23,26)
InChIKeyYLYUEKSTDDEICU-UHFFFAOYSA-N
XLogP3.99
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[4-(3-amino-4,4,4-trifluoro-1-methyliminobut-2-en-2-yl)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 163625310
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-2-(2-chlorophenyl)acetamide
CID 148839325
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
CID 164596482

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 166493198) is 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is CS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is YLYUEKSTDDEICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O4S/c1-30(27,28)14-9-11(23-15(26)8-10-4-2-3-5-13(10)19)6-7-12(14)16-24-25-17(29-16)18(20,21)22/h2-7,9H,8H2,1H3,(H,23,26).
What are the key properties of 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 459.83 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-methylsulfonyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 166493198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).