N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide

C21H18ClF3N2O3S — CID 45375647

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18ClF3N2O3S/c1-2-27(31(29,30)17-9-7-14-5-3-4-6-15(14)11-17)13-20(28)26-16-8-10-19(22)18(12-16)21(23,24)25/h3-12H,2,13H2,1H3,(H,26,28)
InChIKeyDJBVEQYBNDWTQX-UHFFFAOYSA-N
MW470.90 g/mol
LogP5.16
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 45375647) has the molecular formula C21H18ClF3N2O3S and a molecular weight of 470.90 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID45375647
Molecular FormulaC21H18ClF3N2O3S
Molecular Weight470.90 g/mol
Exact Mass470.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18ClF3N2O3S/c1-2-27(31(29,30)17-9-7-14-5-3-4-6-15(14)11-17)13-20(28)26-16-8-10-19(22)18(12-16)21(23,24)25/h3-12H,2,13H2,1H3,(H,26,28)
InChIKeyDJBVEQYBNDWTQX-UHFFFAOYSA-N
XLogP5.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.90
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
N-(4-ethoxyphenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1243481
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126210472
ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate
CID 2217901
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126063234
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-oxochromen-6-yl)sulfonylamino]acetamide
CID 24678197
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126010565

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 45375647) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide is CCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is DJBVEQYBNDWTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N2O3S/c1-2-27(31(29,30)17-9-7-14-5-3-4-6-15(14)11-17)13-20(28)26-16-8-10-19(22)18(12-16)21(23,24)25/h3-12H,2,13H2,1H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 470.90 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 45375647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).