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

C17H16FN5OS — CID 1015987

IUPACN-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nnnn2-c2ccccc2F)c1C
InChIInChI=1S/C17H16FN5OS/c1-11-6-5-8-14(12(11)2)19-16(24)10-25-17-20-21-22-23(17)15-9-4-3-7-13(15)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyRKSHPAMQYIJEBN-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.15
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1015987) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1015987
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC NameN-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2nnnn2-c2ccccc2F)c1C
InChIInChI=1S/C17H16FN5OS/c1-11-6-5-8-14(12(11)2)19-16(24)10-25-17-20-21-22-23(17)15-9-4-3-7-13(15)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyRKSHPAMQYIJEBN-UHFFFAOYSA-N
XLogP3.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1015987) is N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cccc(NC(=O)CSc2nnnn2-c2ccccc2F)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RKSHPAMQYIJEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-11-6-5-8-14(12(11)2)19-16(24)10-25-17-20-21-22-23(17)15-9-4-3-7-13(15)18/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 357.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1015987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).