2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C17H14F4N2O2S — CID 8025476

IUPAC2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H14F4N2O2S/c18-12-6-2-4-8-14(12)26-9-15(24)23-13-7-3-1-5-11(13)16(25)22-10-17(19,20)21/h1-8H,9-10H2,(H,22,25)(H,23,24)
InChIKeyWDNIOOFJUYEELN-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.85
Rot. Bonds6

About 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 8025476) has the molecular formula C17H14F4N2O2S and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID8025476
Molecular FormulaC17H14F4N2O2S
Molecular Weight386.37 g/mol
Exact Mass386.07
IUPAC Name2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H14F4N2O2S/c18-12-6-2-4-8-14(12)26-9-15(24)23-13-7-3-1-5-11(13)16(25)22-10-17(19,20)21/h1-8H,9-10H2,(H,22,25)(H,23,24)
InChIKeyWDNIOOFJUYEELN-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
CID 55428851
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide
CID 34733202
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 107000067
2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24583375
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 7614463
2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8843582
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7484459
2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 95625392

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 8025476) is 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(CSc1ccccc1F)Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WDNIOOFJUYEELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O2S/c18-12-6-2-4-8-14(12)26-9-15(24)23-13-7-3-1-5-11(13)16(25)22-10-17(19,20)21/h1-8H,9-10H2,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 386.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 8025476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).