(2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide

C22H25N5O2S — CID 41138245

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2C[C@H]2CCCO2)c2ccccc2)c1
InChIInChI=1S/C22H25N5O2S/c1-15-10-11-16(2)19(13-15)23-21(28)20(17-7-4-3-5-8-17)30-22-24-25-26-27(22)14-18-9-6-12-29-18/h3-5,7-8,10-11,13,18,20H,6,9,12,14H2,1-2H3,(H,23,28)/t18-,20-/m1/s1
InChIKeyUGGLIHLIYBCZNX-UYAOXDASSA-N
MW423.54 g/mol
LogP3.94
Rot. Bonds7

About (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide

(2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 41138245) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
PubChem CID41138245
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2C[C@H]2CCCO2)c2ccccc2)c1
InChIInChI=1S/C22H25N5O2S/c1-15-10-11-16(2)19(13-15)23-21(28)20(17-7-4-3-5-8-17)30-22-24-25-26-27(22)14-18-9-6-12-29-18/h3-5,7-8,10-11,13,18,20H,6,9,12,14H2,1-2H3,(H,23,28)/t18-,20-/m1/s1
InChIKeyUGGLIHLIYBCZNX-UYAOXDASSA-N
XLogP3.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 46648718
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41235014
(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41119437
(2S)-N-(2,5-dimethylphenyl)-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 41111447
(2S)-N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 30603410
N-benzyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640571
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640555
N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259197
(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
(2S)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 2124641
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 16502653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 41138245) is (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2C[C@H]2CCCO2)c2ccccc2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The InChIKey is UGGLIHLIYBCZNX-UYAOXDASSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-15-10-11-16(2)19(13-15)23-21(28)20(17-7-4-3-5-8-17)30-22-24-25-26-27(22)14-18-9-6-12-29-18/h3-5,7-8,10-11,13,18,20H,6,9,12,14H2,1-2H3,(H,23,28)/t18-,20-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide?
(2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 423.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 41138245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).