N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C17H16FN5O3S — CID 1227030

IUPACN-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1OC
InChIInChI=1S/C17H16FN5O3S/c1-25-14-8-7-11(9-15(14)26-2)19-16(24)10-27-17-20-21-22-23(17)13-6-4-3-5-12(13)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyUZNOEKHWUHGMNR-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.55
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1227030) has the molecular formula C17H16FN5O3S and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1227030
Molecular FormulaC17H16FN5O3S
Molecular Weight389.41 g/mol
Exact Mass389.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1OC
InChIInChI=1S/C17H16FN5O3S/c1-25-14-8-7-11(9-15(14)26-2)19-16(24)10-27-17-20-21-22-23(17)13-6-4-3-5-12(13)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyUZNOEKHWUHGMNR-UHFFFAOYSA-N
XLogP2.55
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1227030) is N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is UZNOEKHWUHGMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S/c1-25-14-8-7-11(9-15(14)26-2)19-16(24)10-27-17-20-21-22-23(17)13-6-4-3-5-12(13)18/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 389.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1227030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).