N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C17H22N4O2S — CID 135547365

IUPACN-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1O
InChIInChI=1S/C17H22N4O2S/c1-21-16(13-9-5-6-10-14(13)22)19-20-17(21)24-11-15(23)18-12-7-3-2-4-8-12/h5-6,9-10,12,22H,2-4,7-8,11H2,1H3,(H,18,23)
InChIKeyCKLNNLQSVRYZTC-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.73
Rot. Bonds5

About N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 135547365) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID135547365
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1O
InChIInChI=1S/C17H22N4O2S/c1-21-16(13-9-5-6-10-14(13)22)19-20-17(21)24-11-15(23)18-12-7-3-2-4-8-12/h5-6,9-10,12,22H,2-4,7-8,11H2,1H3,(H,18,23)
InChIKeyCKLNNLQSVRYZTC-UHFFFAOYSA-N
XLogP2.73
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 135547365) is N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1O.
What is the InChIKey of N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is CKLNNLQSVRYZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-21-16(13-9-5-6-10-14(13)22)19-20-17(21)24-11-15(23)18-12-7-3-2-4-8-12/h5-6,9-10,12,22H,2-4,7-8,11H2,1H3,(H,18,23).
What are the key properties of N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 135547365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).