2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C18H18ClF3N2O4S — CID 30168025

IUPAC2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-28-15-9-8-12(19)10-16(15)29(26,27)24(2)11-17(25)23-14-7-5-4-6-13(14)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyQTJCSFIGXGSXNK-UHFFFAOYSA-N
MW450.87 g/mol
LogP4.02
Rot. Bonds7

About 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 30168025) has the molecular formula C18H18ClF3N2O4S and a molecular weight of 450.87 g/mol. Its IUPAC name is 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID30168025
Molecular FormulaC18H18ClF3N2O4S
Molecular Weight450.87 g/mol
Exact Mass450.06
IUPAC Name2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O4S/c1-3-28-15-9-8-12(19)10-16(15)29(26,27)24(2)11-17(25)23-14-7-5-4-6-13(14)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyQTJCSFIGXGSXNK-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
N-(2-benzoyl-4-chlorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168164
N-(4-bromo-2-fluorophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 30168021
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1294281
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3319169
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 30167910
2-[benzenesulfonyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 45372832
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37496925
2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24566060
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 30168127

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 30168025) is 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QTJCSFIGXGSXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4S/c1-3-28-15-9-8-12(19)10-16(15)29(26,27)24(2)11-17(25)23-14-7-5-4-6-13(14)18(20,21)22/h4-10H,3,11H2,1-2H3,(H,23,25).
What are the key properties of 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 450.87 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 30168025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).