2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C18H19F3N2O4S — CID 86934968

IUPAC2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-28(25,26)23-16-5-3-2-4-14(16)10-17(24)22-11-13-6-8-15(9-7-13)27-12-18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24)
InChIKeyPEIXKVTWUNFBEZ-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.86
Rot. Bonds8

About 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 86934968) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID86934968
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-28(25,26)23-16-5-3-2-4-14(16)10-17(24)22-11-13-6-8-15(9-7-13)27-12-18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24)
InChIKeyPEIXKVTWUNFBEZ-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935231
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 31166045
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 55711441
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
1-[[2-(methanesulfonamido)phenyl]methyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420592

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 86934968) is 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is CS(=O)(=O)Nc1ccccc1CC(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is PEIXKVTWUNFBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-28(25,26)23-16-5-3-2-4-14(16)10-17(24)22-11-13-6-8-15(9-7-13)27-12-18(19,20)21/h2-9,23H,10-12H2,1H3,(H,22,24).
What are the key properties of 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 416.42 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 86934968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).