2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H17ClF3N3O4S — CID 17439461

IUPAC2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)no1
InChIInChI=1S/C20H17ClF3N3O4S/c1-13-9-18(26-31-13)25-19(28)12-27(11-14-5-3-2-4-6-14)32(29,30)15-7-8-17(21)16(10-15)20(22,23)24/h2-10H,11-12H2,1H3,(H,25,26,28)
InChIKeyLIISNSUABZDCAW-UHFFFAOYSA-N
MW487.89 g/mol
LogP4.48
Rot. Bonds7

About 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 17439461) has the molecular formula C20H17ClF3N3O4S and a molecular weight of 487.89 g/mol. Its IUPAC name is 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID17439461
Molecular FormulaC20H17ClF3N3O4S
Molecular Weight487.89 g/mol
Exact Mass487.06
IUPAC Name2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)no1
InChIInChI=1S/C20H17ClF3N3O4S/c1-13-9-18(26-31-13)25-19(28)12-27(11-14-5-3-2-4-6-14)32(29,30)15-7-8-17(21)16(10-15)20(22,23)24/h2-10H,11-12H2,1H3,(H,25,26,28)
InChIKeyLIISNSUABZDCAW-UHFFFAOYSA-N
XLogP4.48
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.89
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2128925
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126063234
2-[benzyl-(3,4-dichlorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695357
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1334909
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126010565
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3275568
2-[5-(dibenzylsulfamoyl)-2-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2526591
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126011263
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3955191

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 17439461) is 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LIISNSUABZDCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O4S/c1-13-9-18(26-31-13)25-19(28)12-27(11-14-5-3-2-4-6-14)32(29,30)15-7-8-17(21)16(10-15)20(22,23)24/h2-10H,11-12H2,1H3,(H,25,26,28).
What are the key properties of 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 487.89 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 17439461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).