N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C18H18ClF3N2O3S — CID 2119470

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-3-24(11-17(25)23-16-10-14(19)8-7-12(16)2)28(26,27)15-6-4-5-13(9-15)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyRWWPPHVLCXPAAI-UHFFFAOYSA-N
MW434.87 g/mol
LogP4.32
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 2119470) has the molecular formula C18H18ClF3N2O3S and a molecular weight of 434.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID2119470
Molecular FormulaC18H18ClF3N2O3S
Molecular Weight434.87 g/mol
Exact Mass434.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-3-24(11-17(25)23-16-10-14(19)8-7-12(16)2)28(26,27)15-6-4-5-13(9-15)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyRWWPPHVLCXPAAI-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 113175197
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 27832563
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 100781494
2-[benzenesulfonyl(ethyl)amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2231731
N-(5-chloro-2-methylphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069224
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 4849161
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 2119470) is N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is RWWPPHVLCXPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O3S/c1-3-24(11-17(25)23-16-10-14(19)8-7-12(16)2)28(26,27)15-6-4-5-13(9-15)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 434.87 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 2119470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).