N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide

C17H13F6N3O2S — CID 55428851

IUPACN-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H13F6N3O2S/c18-16(19,20)9-25-15(28)11-3-1-2-4-12(11)26-13(27)8-29-14-6-5-10(7-24-14)17(21,22)23/h1-7H,8-9H2,(H,25,28)(H,26,27)
InChIKeyNHVORXUBTCKIOX-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.12
Rot. Bonds6

About N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide

N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide (PubChem CID 55428851) has the molecular formula C17H13F6N3O2S and a molecular weight of 437.37 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
PubChem CID55428851
Molecular FormulaC17H13F6N3O2S
Molecular Weight437.37 g/mol
Exact Mass437.06
IUPAC NameN-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H13F6N3O2S/c18-16(19,20)9-25-15(28)11-3-1-2-4-12(11)26-13(27)8-29-14-6-5-10(7-24-14)17(21,22)23/h1-7H,8-9H2,(H,25,28)(H,26,27)
InChIKeyNHVORXUBTCKIOX-UHFFFAOYSA-N
XLogP4.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 34761380
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8025476
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 41460141
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134003648
1-(2-methylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 43802341
3-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]propanoic acid
CID 119140122
N-(4-ethylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 31888958
2-[[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112815625
N-methyl-2-[4-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]phenyl]acetamide
CID 134004407
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55715793

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide (CID 55428851) is N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide is O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide?
The InChIKey is NHVORXUBTCKIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3O2S/c18-16(19,20)9-25-15(28)11-3-1-2-4-12(11)26-13(27)8-29-14-6-5-10(7-24-14)17(21,22)23/h1-7H,8-9H2,(H,25,28)(H,26,27).
What are the key properties of N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide?
N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide has a molecular weight of 437.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 55428851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).