N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C19H14FN5OS — CID 1116753

IUPACN-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1F
InChIInChI=1S/C19H14FN5OS/c20-15-9-3-4-10-16(15)21-18(26)12-27-19-22-23-24-25(19)17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,21,26)
InChIKeyHYPREAQYJQNAKY-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.69
Rot. Bonds5

About N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 1116753) has the molecular formula C19H14FN5OS and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID1116753
Molecular FormulaC19H14FN5OS
Molecular Weight379.42 g/mol
Exact Mass379.09
IUPAC NameN-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1F
InChIInChI=1S/C19H14FN5OS/c20-15-9-3-4-10-16(15)21-18(26)12-27-19-22-23-24-25(19)17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,21,26)
InChIKeyHYPREAQYJQNAKY-UHFFFAOYSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
CID 3127025
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
1-(4-Fluorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)sulfanylbutan-1-one
CID 2295273
ethyl {[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetate
CID 1260000
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
N-Cyclopentyl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 3228993
1-Pyrrolidin-1-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228994
1-Piperidin-1-yl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228995
1-(2,6-Dimethyl-piperidin-1-yl)-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 3228996

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 1116753) is N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is HYPREAQYJQNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5OS/c20-15-9-3-4-10-16(15)21-18(26)12-27-19-22-23-24-25(19)17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,21,26).
What are the key properties of N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 379.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1116753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).