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

C15H19N5O2S — CID 753223

IUPACN-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)NC1CCCCC1
InChIInChI=1S/C15H19N5O2S/c21-13-8-6-12(7-9-13)20-15(17-18-19-20)23-10-14(22)16-11-4-2-1-3-5-11/h6-9,11,21H,1-5,10H2,(H,16,22)
InChIKeyXLKFOXJIBJZTRS-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.91
Rot. Bonds5

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

N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 753223) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID753223
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)NC1CCCCC1
InChIInChI=1S/C15H19N5O2S/c21-13-8-6-12(7-9-13)20-15(17-18-19-20)23-10-14(22)16-11-4-2-1-3-5-11/h6-9,11,21H,1-5,10H2,(H,16,22)
InChIKeyXLKFOXJIBJZTRS-UHFFFAOYSA-N
XLogP1.91
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 753223) is N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(O)cc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is XLKFOXJIBJZTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-13-8-6-12(7-9-13)20-15(17-18-19-20)23-10-14(22)16-11-4-2-1-3-5-11/h6-9,11,21H,1-5,10H2,(H,16,22).
What are the key properties of N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 333.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 753223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).