N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C13H15F2N5O2S — CID 38131882

IUPACN-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N5O2S/c1-8(2)20-13(17-18-19-20)23-7-11(21)16-9-5-3-4-6-10(9)22-12(14)15/h3-6,8,12H,7H2,1-2H3,(H,16,21)
InChIKeyZRKUBXSAGCCFCI-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 38131882) has the molecular formula C13H15F2N5O2S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID38131882
Molecular FormulaC13H15F2N5O2S
Molecular Weight343.36 g/mol
Exact Mass343.09
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N5O2S/c1-8(2)20-13(17-18-19-20)23-7-11(21)16-9-5-3-4-6-10(9)22-12(14)15/h3-6,8,12H,7H2,1-2H3,(H,16,21)
InChIKeyZRKUBXSAGCCFCI-UHFFFAOYSA-N
XLogP2.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-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

Related Compounds

N-(2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 1452360
N-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428369
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2603803
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 78763109
N-[2-(difluoromethoxy)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2478888
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2601722
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38132443
N-(5-chloro-2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 17413017
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 29338258
N-[2-(difluoromethoxy)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660781

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 38131882) is N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZRKUBXSAGCCFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O2S/c1-8(2)20-13(17-18-19-20)23-7-11(21)16-9-5-3-4-6-10(9)22-12(14)15/h3-6,8,12H,7H2,1-2H3,(H,16,21).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 343.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 38131882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).