2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

C17H14F3N5OS — CID 4556880

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnnc1SC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H14F3N5OS/c1-25-16(22-23-24-25)27-14(11-6-3-2-4-7-11)15(26)21-13-9-5-8-12(10-13)17(18,19)20/h2-10,14H,1H3,(H,21,26)
InChIKeyGHKRJTVBSBTRDB-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.70
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 4556880) has the molecular formula C17H14F3N5OS and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID4556880
Molecular FormulaC17H14F3N5OS
Molecular Weight393.39 g/mol
Exact Mass393.09
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnnc1SC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H14F3N5OS/c1-25-16(22-23-24-25)27-14(11-6-3-2-4-7-11)15(26)21-13-9-5-8-12(10-13)17(18,19)20/h2-10,14H,1H3,(H,21,26)
InChIKeyGHKRJTVBSBTRDB-UHFFFAOYSA-N
XLogP3.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 4556880) is 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide is Cn1nnnc1SC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GHKRJTVBSBTRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS/c1-25-16(22-23-24-25)27-14(11-6-3-2-4-7-11)15(26)21-13-9-5-8-12(10-13)17(18,19)20/h2-10,14H,1H3,(H,21,26).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4556880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).