(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C23H19N5O2S — CID 2430883

IUPAC(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2-c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H19N5O2S/c1-16(29)18-11-8-12-19(15-18)24-22(30)21(17-9-4-2-5-10-17)31-23-25-26-27-28(23)20-13-6-3-7-14-20/h2-15,21H,1H3,(H,24,30)/t21-/m0/s1
InChIKeyZMAULWAUVLWSSB-NRFANRHFSA-N
MW429.51 g/mol
LogP4.34
Rot. Bonds7

About (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2430883) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2430883
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2-c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H19N5O2S/c1-16(29)18-11-8-12-19(15-18)24-22(30)21(17-9-4-2-5-10-17)31-23-25-26-27-28(23)20-13-6-3-7-14-20/h2-15,21H,1H3,(H,24,30)/t21-/m0/s1
InChIKeyZMAULWAUVLWSSB-NRFANRHFSA-N
XLogP4.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508641
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 46812114
(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 40608479
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
N-(3-methoxyphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508637
N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621115
(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 40910484
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 46572745
N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 56509027
1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 91248510

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2430883) is (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2-c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZMAULWAUVLWSSB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-16(29)18-11-8-12-19(15-18)24-22(30)21(17-9-4-2-5-10-17)31-23-25-26-27-28(23)20-13-6-3-7-14-20/h2-15,21H,1H3,(H,24,30)/t21-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 429.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2430883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).