(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide

C11H13N5O2S — CID 41312485

IUPAC(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
SMILESCNC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N5O2S/c1-7(10(18)12-2)19-11-13-14-15-16(11)8-3-5-9(17)6-4-8/h3-7,17H,1-2H3,(H,12,18)/t7-/m0/s1
InChIKeyAXPFUMUUQFLYEP-ZETCQYMHSA-N
MW279.33 g/mol
LogP0.59
Rot. Bonds4

About (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide

(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide (PubChem CID 41312485) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
PubChem CID41312485
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
SMILESCNC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N5O2S/c1-7(10(18)12-2)19-11-13-14-15-16(11)8-3-5-9(17)6-4-8/h3-7,17H,1-2H3,(H,12,18)/t7-/m0/s1
InChIKeyAXPFUMUUQFLYEP-ZETCQYMHSA-N
XLogP0.59
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 41312479
(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
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7474082
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 18079085
(2S)-N-(3-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7473969
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 2472498
(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-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 124726060
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 98604764
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 16569702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide?
The IUPAC name of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide (CID 41312485) is (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide?
The canonical SMILES for (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide is CNC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide?
The InChIKey is AXPFUMUUQFLYEP-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-7(10(18)12-2)19-11-13-14-15-16(11)8-3-5-9(17)6-4-8/h3-7,17H,1-2H3,(H,12,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide?
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide has a molecular weight of 279.33 g/mol, XLogP of 0.59, 4 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-methylpropanamide is sourced from PubChem (CID 41312485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).