N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide

C17H11F6N5O3S — CID 1045651

IUPACN-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F6N5O3S/c18-16(19,20)30-12-5-1-10(2-6-12)24-14(29)9-32-15-25-26-27-28(15)11-3-7-13(8-4-11)31-17(21,22)23/h1-8H,9H2,(H,24,29)
InChIKeyWGTKURLNEWIDTG-UHFFFAOYSA-N
MW479.36 g/mol
LogP4.19
Rot. Bonds7

About N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide

N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 1045651) has the molecular formula C17H11F6N5O3S and a molecular weight of 479.36 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID1045651
Molecular FormulaC17H11F6N5O3S
Molecular Weight479.36 g/mol
Exact Mass479.05
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F6N5O3S/c18-16(19,20)30-12-5-1-10(2-6-12)24-14(29)9-32-15-25-26-27-28(15)11-3-7-13(8-4-11)31-17(21,22)23/h1-8H,9H2,(H,24,29)
InChIKeyWGTKURLNEWIDTG-UHFFFAOYSA-N
XLogP4.19
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide (CID 1045651) is N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is WGTKURLNEWIDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N5O3S/c18-16(19,20)30-12-5-1-10(2-6-12)24-14(29)9-32-15-25-26-27-28(15)11-3-7-13(8-4-11)31-17(21,22)23/h1-8H,9H2,(H,24,29).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 479.36 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1045651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).