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

C17H23N5O2S — CID 98604764

IUPAC(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C
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)/t11-,12-,15+/m0/s1
InChIKeyBPSXFOBKVNVVQB-SLEUVZQESA-N
MW361.47 g/mol
LogP2.54
Rot. Bonds5

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

(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide (PubChem CID 98604764) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
PubChem CID98604764
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C
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)/t11-,12-,15+/m0/s1
InChIKeyBPSXFOBKVNVVQB-SLEUVZQESA-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

(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 124726060
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 11915021
N-(2,3-dimethylcyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4828172
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485
(2S)-N-cyclopentyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7713686
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 18079085
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 8953217
2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 42972577
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7474142
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 2472498
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)propanamide
CID 46685656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide (CID 98604764) is (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide is C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is BPSXFOBKVNVVQB-SLEUVZQESA-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)/t11-,12-,15+/m0/s1.
What are the key properties of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide?
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-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 (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 98604764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).