(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C16H19N7O2S — CID 2472498

IUPAC(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C16H19N7O2S/c1-10(2)22-14(8-9-17-22)18-15(25)11(3)26-16-19-20-21-23(16)12-4-6-13(24)7-5-12/h4-11,24H,1-3H3,(H,18,25)/t11-/m0/s1
InChIKeySXYJCQUDFDYPHK-NSHDSACASA-N
MW373.44 g/mol
LogP2.26
Rot. Bonds6

About (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 2472498) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID2472498
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC Name(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C16H19N7O2S/c1-10(2)22-14(8-9-17-22)18-15(25)11(3)26-16-19-20-21-23(16)12-4-6-13(24)7-5-12/h4-11,24H,1-3H3,(H,18,25)/t11-/m0/s1
InChIKeySXYJCQUDFDYPHK-NSHDSACASA-N
XLogP2.26
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
(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
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(2S)-N-(3-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7473969
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7474142
N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 8953217
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
methyl 3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylbutanoate
CID 79398462
(2R)-N-(4-acetamidophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464631
(2S)-N-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 41312479
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 98604764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 2472498) is (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is SXYJCQUDFDYPHK-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N7O2S/c1-10(2)22-14(8-9-17-22)18-15(25)11(3)26-16-19-20-21-23(16)12-4-6-13(24)7-5-12/h4-11,24H,1-3H3,(H,18,25)/t11-/m0/s1.
What are the key properties of (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 373.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 2472498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).