N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H14FN5O2S — CID 2448996

IUPACN-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C16H14FN5O2S/c1-10-2-3-11(17)8-14(10)18-15(24)9-25-16-19-20-21-22(16)12-4-6-13(23)7-5-12/h2-8,23H,9H2,1H3,(H,18,24)
InChIKeyXKYJDVPKLIKCEM-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.55
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2448996) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2448996
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C16H14FN5O2S/c1-10-2-3-11(17)8-14(10)18-15(24)9-25-16-19-20-21-22(16)12-4-6-13(23)7-5-12/h2-8,23H,9H2,1H3,(H,18,24)
InChIKeyXKYJDVPKLIKCEM-UHFFFAOYSA-N
XLogP2.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2448996) is N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(F)cc1NC(=O)CSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is XKYJDVPKLIKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c1-10-2-3-11(17)8-14(10)18-15(24)9-25-16-19-20-21-22(16)12-4-6-13(23)7-5-12/h2-8,23H,9H2,1H3,(H,18,24).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 359.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2448996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).