(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C14H19N5O2S — CID 124850563

IUPAC(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCSCC[C@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C14H19N5O2S/c1-22-8-7-12(9-20)16-14(21)13(19-10-15-17-18-19)11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,16,21)/t12-,13+/m1/s1
InChIKeyQSZZLTWGIIRHBS-OLZOCXBDSA-N
MW321.41 g/mol
LogP0.49
Rot. Bonds8

About (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 124850563) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID124850563
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCSCC[C@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C14H19N5O2S/c1-22-8-7-12(9-20)16-14(21)13(19-10-15-17-18-19)11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,16,21)/t12-,13+/m1/s1
InChIKeyQSZZLTWGIIRHBS-OLZOCXBDSA-N
XLogP0.49
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124851461
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
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(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
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tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
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(2S)-2-amino-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenylpropanamide
CID 12800380
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 90652631
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91789332
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71701108

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 124850563) is (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is CSCC[C@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is QSZZLTWGIIRHBS-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-22-8-7-12(9-20)16-14(21)13(19-10-15-17-18-19)11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,16,21)/t12-,13+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 321.41 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 124850563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).