(2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide

C16H15N5OS — CID 124506736

IUPAC(2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide
SMILESO=C(NCc1ccccc1)[C@@H](Sc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C16H15N5OS/c22-15(17-11-12-7-3-1-4-8-12)14(13-9-5-2-6-10-13)23-16-18-20-21-19-16/h1-10,14H,11H2,(H,17,22)(H,18,19,20,21)/t14-/m0/s1
InChIKeyIWAVOKRVFJDGKR-AWEZNQCLSA-N
MW325.40 g/mol
LogP2.35
Rot. Bonds6

About (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide

(2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide (PubChem CID 124506736) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide
PubChem CID124506736
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name(2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide
SMILESO=C(NCc1ccccc1)[C@@H](Sc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C16H15N5OS/c22-15(17-11-12-7-3-1-4-8-12)14(13-9-5-2-6-10-13)23-16-18-20-21-19-16/h1-10,14H,11H2,(H,17,22)(H,18,19,20,21)/t14-/m0/s1
InChIKeyIWAVOKRVFJDGKR-AWEZNQCLSA-N
XLogP2.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
[2-(benzylamino)-2-oxo-1-phenylethyl] thiocyanate
CID 135051211
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 132903387
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-benzyl-2-phenylacetamide
CID 135950983
N'-benzyl-2-phenylpropanediamide
CID 57080466
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
CID 3596364
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 135646878
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26207800

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide?
The IUPAC name of (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide (CID 124506736) is (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide?
The canonical SMILES for (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide is O=C(NCc1ccccc1)[C@@H](Sc1nn[nH]n1)c1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide?
The InChIKey is IWAVOKRVFJDGKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(17-11-12-7-3-1-4-8-12)14(13-9-5-2-6-10-13)23-16-18-20-21-19-16/h1-10,14H,11H2,(H,17,22)(H,18,19,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide?
(2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide has a molecular weight of 325.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-phenyl-2-(2H-tetrazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 124506736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).