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

C19H20F3NO3S — CID 31519678

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCCOc1ccc(SCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-2-25-15-7-9-17(10-8-15)27-12-18(24)23-11-14-3-5-16(6-4-14)26-13-19(20,21)22/h3-10H,2,11-13H2,1H3,(H,23,24)
InChIKeyAKQIVDNGMPCLIJ-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.43
Rot. Bonds9

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

2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 31519678) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID31519678
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCCOc1ccc(SCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-2-25-15-7-9-17(10-8-15)27-12-18(24)23-11-14-3-5-16(6-4-14)26-13-19(20,21)22/h3-10H,2,11-13H2,1H3,(H,23,24)
InChIKeyAKQIVDNGMPCLIJ-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
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
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119641427
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 66170023
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 31519678) is 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is CCOc1ccc(SCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is AKQIVDNGMPCLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c1-2-25-15-7-9-17(10-8-15)27-12-18(24)23-11-14-3-5-16(6-4-14)26-13-19(20,21)22/h3-10H,2,11-13H2,1H3,(H,23,24).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 399.43 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 31519678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).