N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C15H13N5O2S — CID 773316

IUPACN-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1O
InChIInChI=1S/C15H13N5O2S/c21-13-9-5-4-8-12(13)16-14(22)10-23-15-17-18-19-20(15)11-6-2-1-3-7-11/h1-9,21H,10H2,(H,16,22)
InChIKeyMRXBZBWPVNITBQ-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.10
Rot. Bonds5

About N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 773316) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID773316
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1O
InChIInChI=1S/C15H13N5O2S/c21-13-9-5-4-8-12(13)16-14(22)10-23-15-17-18-19-20(15)11-6-2-1-3-7-11/h1-9,21H,10H2,(H,16,22)
InChIKeyMRXBZBWPVNITBQ-UHFFFAOYSA-N
XLogP2.10
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
N-cyclopropyl-2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1249466
N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 982774
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 753223
2-[1-(2-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenyl-acetamide
CID 865913
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 2097187
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1844148
2-[1-(3-Hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 713732
2-[1-(4-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1075031
2-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 2738236
4-(5-Prop-2-enylsulfanyltetrazol-1-yl)phenol
CID 2801423

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 773316) is N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MRXBZBWPVNITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-13-9-5-4-8-12(13)16-14(22)10-23-15-17-18-19-20(15)11-6-2-1-3-7-11/h1-9,21H,10H2,(H,16,22).
What are the key properties of N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 327.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 773316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).