N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C20H18FN7OS — CID 56571740

IUPACN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)Nc1cc(-n2nnnc2C)ccc1F
InChIInChI=1S/C20H18FN7OS/c1-13-5-3-4-6-18(13)27-10-9-22-20(27)30-12-19(29)23-17-11-15(7-8-16(17)21)28-14(2)24-25-26-28/h3-11H,12H2,1-2H3,(H,23,29)
InChIKeyNJQOLVHRNHCWBU-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.33
Rot. Bonds6

About N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 56571740) has the molecular formula C20H18FN7OS and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID56571740
Molecular FormulaC20H18FN7OS
Molecular Weight423.48 g/mol
Exact Mass423.13
IUPAC NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)Nc1cc(-n2nnnc2C)ccc1F
InChIInChI=1S/C20H18FN7OS/c1-13-5-3-4-6-18(13)27-10-9-22-20(27)30-12-19(29)23-17-11-15(7-8-16(17)21)28-14(2)24-25-26-28/h3-11H,12H2,1-2H3,(H,23,29)
InChIKeyNJQOLVHRNHCWBU-UHFFFAOYSA-N
XLogP3.33
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 34549840
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55846055
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071
N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41473059
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739
N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5001516
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 56568252
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 34715637

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 56571740) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc(-n2nnnc2C)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is NJQOLVHRNHCWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7OS/c1-13-5-3-4-6-18(13)27-10-9-22-20(27)30-12-19(29)23-17-11-15(7-8-16(17)21)28-14(2)24-25-26-28/h3-11H,12H2,1-2H3,(H,23,29).
What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 423.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 56571740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).