2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide

C17H15F2N5OS — CID 1038842

IUPAC2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N5OS/c1-10-4-3-5-11(2)16(10)20-15(25)9-26-17-21-22-23-24(17)14-7-6-12(18)8-13(14)19/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyAVRSCZMWWRKIII-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.29
Rot. Bonds5

About 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide

2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide (PubChem CID 1038842) has the molecular formula C17H15F2N5OS and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
PubChem CID1038842
Molecular FormulaC17H15F2N5OS
Molecular Weight375.40 g/mol
Exact Mass375.10
IUPAC Name2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N5OS/c1-10-4-3-5-11(2)16(10)20-15(25)9-26-17-21-22-23-24(17)14-7-6-12(18)8-13(14)19/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyAVRSCZMWWRKIII-UHFFFAOYSA-N
XLogP3.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide (CID 1038842) is 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(F)cc1F.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is AVRSCZMWWRKIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5OS/c1-10-4-3-5-11(2)16(10)20-15(25)9-26-17-21-22-23-24(17)14-7-6-12(18)8-13(14)19/h3-8H,9H2,1-2H3,(H,20,25).
What are the key properties of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide?
2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 375.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 1038842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).