N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C18H17F2N5OS2 — CID 26644104

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2SC(F)F)c1C
InChIInChI=1S/C18H17F2N5OS2/c1-11-6-5-8-14(12(11)2)25-18(22-23-24-25)27-10-16(26)21-13-7-3-4-9-15(13)28-17(19)20/h3-9,17H,10H2,1-2H3,(H,21,26)
InChIKeyRFVWXBMVKQTLGO-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.32
Rot. Bonds7

About N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 26644104) has the molecular formula C18H17F2N5OS2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID26644104
Molecular FormulaC18H17F2N5OS2
Molecular Weight421.50 g/mol
Exact Mass421.08
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2SC(F)F)c1C
InChIInChI=1S/C18H17F2N5OS2/c1-11-6-5-8-14(12(11)2)25-18(22-23-24-25)27-10-16(26)21-13-7-3-4-9-15(13)28-17(19)20/h3-9,17H,10H2,1-2H3,(H,21,26)
InChIKeyRFVWXBMVKQTLGO-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)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

Related Compounds

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26643443
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9150724
2-[[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 42070616
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8798833
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16649469
N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5001516
N-(2,3-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8805931
2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070421
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2419707
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 26650117
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 26644104) is N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2SC(F)F)c1C.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RFVWXBMVKQTLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5OS2/c1-11-6-5-8-14(12(11)2)25-18(22-23-24-25)27-10-16(26)21-13-7-3-4-9-15(13)28-17(19)20/h3-9,17H,10H2,1-2H3,(H,21,26).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 421.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 26644104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).