N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H14FN5O2S — CID 2557351

IUPACN-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1F
InChIInChI=1S/C16H14FN5O2S/c1-10-2-3-11(8-14(10)17)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)
InChIKeyMTDZRIYYMUZEEA-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.55
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2557351) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2557351
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1F
InChIInChI=1S/C16H14FN5O2S/c1-10-2-3-11(8-14(10)17)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)
InChIKeyMTDZRIYYMUZEEA-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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Related Compounds

1-(4-fluorophenyl)-2-(1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio)ethanone
CID 2809808
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2565734
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide
CID 24819888
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 753223
2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 590597
2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1078049
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 2097187
4-[5-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 4815411
1-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 4968520
4-[5-[(5-Fluoro-2-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 8177315
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1844148
2-[1-(4-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(4-methoxy-phenyl)-acetamide
CID 1075030

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2557351) is N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is MTDZRIYYMUZEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c1-10-2-3-11(8-14(10)17)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-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2557351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).