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

C17H16FN5O3S — CID 645149

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

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

N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 645149) has the molecular formula C17H16FN5O3S and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID645149
Molecular FormulaC17H16FN5O3S
Molecular Weight389.41 g/mol
Exact Mass389.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccccc2F)c1
InChIInChI=1S/C17H16FN5O3S/c1-25-11-7-8-15(26-2)13(9-11)19-16(24)10-27-17-20-21-22-23(17)14-6-4-3-5-12(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyYOQYFKVUZQTHTF-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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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[1-(2,5-dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 647087
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
2-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 650626
2-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CID 653731
N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 982774
N-(2-methoxyphenyl)-2-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1075013
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
2-[1-(4-Ethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(3-hydroxy-phenyl)-acetamide
CID 1172285

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 645149) is N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccccc2F)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is YOQYFKVUZQTHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S/c1-25-11-7-8-15(26-2)13(9-11)19-16(24)10-27-17-20-21-22-23(17)14-6-4-3-5-12(14)18/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2,5-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-(2,5-dimethoxyphenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 645149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).