2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide

C17H23N5O2S — CID 24819888

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide
SMILESCC(Sc1nnnn1-c1ccc(O)cc1)C(=O)NC1CCCCC1C
InChIInChI=1S/C17H23N5O2S/c1-11-5-3-4-6-15(11)18-16(24)12(2)25-17-19-20-21-22(17)13-7-9-14(23)10-8-13/h7-12,15,23H,3-6H2,1-2H3,(H,18,24)
InChIKeyBPSXFOBKVNVVQB-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide (PubChem CID 24819888) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide
PubChem CID24819888
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide
SMILESCC(Sc1nnnn1-c1ccc(O)cc1)C(=O)NC1CCCCC1C
InChIInChI=1S/C17H23N5O2S/c1-11-5-3-4-6-15(11)18-16(24)12(2)25-17-19-20-21-22(17)13-7-9-14(23)10-8-13/h7-12,15,23H,3-6H2,1-2H3,(H,18,24)
InChIKeyBPSXFOBKVNVVQB-UHFFFAOYSA-N
XLogP2.54
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1249466
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
6-Amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2507224
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2565734
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
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
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4211873
N,N-diethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16304484
N-cyclopentyl-2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}propanamide
CID 4214295
1-[2-(2-Fluorophenyl)-1,3-thiazolidin-3-yl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 16274997

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide (CID 24819888) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide is CC(Sc1nnnn1-c1ccc(O)cc1)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide?
The InChIKey is BPSXFOBKVNVVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-5-3-4-6-15(11)18-16(24)12(2)25-17-19-20-21-22(17)13-7-9-14(23)10-8-13/h7-12,15,23H,3-6H2,1-2H3,(H,18,24).
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 24819888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).