(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C23H21N5O2S — CID 2621115

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N5O2S/c1-16-13-14-20(30-2)19(15-16)24-22(29)21(17-9-5-3-6-10-17)31-23-25-26-27-28(23)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,24,29)/t21-/m0/s1
InChIKeyPXVBRNHUFHTWNV-NRFANRHFSA-N
MW431.52 g/mol
LogP4.45
Rot. Bonds7

About (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2621115) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2621115
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N5O2S/c1-16-13-14-20(30-2)19(15-16)24-22(29)21(17-9-5-3-6-10-17)31-23-25-26-27-28(23)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,24,29)/t21-/m0/s1
InChIKeyPXVBRNHUFHTWNV-NRFANRHFSA-N
XLogP4.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2460572
(2S)-N-(2,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 41100980
(2R)-N-(2,5-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 41319947
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 16536965
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 9061759
N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 4802905
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 55476737
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 16535961
(2R)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8723048
(2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 40804688
N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4783734
(2R)-N-(2-methoxy-5-methylphenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-2-phenylacetamide
CID 2112043

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2621115) is (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PXVBRNHUFHTWNV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-16-13-14-20(30-2)19(15-16)24-22(29)21(17-9-5-3-6-10-17)31-23-25-26-27-28(23)18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,24,29)/t21-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 431.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2621115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).