(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide

C21H23N5O2S — CID 41119437

IUPAC(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide
SMILESC[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H23N5O2S/c1-15(29-21-23-24-25-26(21)14-17-10-7-13-28-17)20(27)22-19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3,(H,22,27)/t15-,17-/m1/s1
InChIKeyLVKGUJSTWCAHRG-NVXWUHKLSA-N
MW409.52 g/mol
LogP3.64
Rot. Bonds7

About (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide

(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide (PubChem CID 41119437) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide
PubChem CID41119437
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide
SMILESC[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H23N5O2S/c1-15(29-21-23-24-25-26(21)14-17-10-7-13-28-17)20(27)22-19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3,(H,22,27)/t15-,17-/m1/s1
InChIKeyLVKGUJSTWCAHRG-NVXWUHKLSA-N
XLogP3.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640571
N-naphthalen-2-yl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259197
N-(4-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640350
N-(4-bromo-2-fluorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640552
(2R)-N-cyclopropyl-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388416
N-(3-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259127
(2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 41138245
N-tert-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259252
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640554
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9452665
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640555
(2R)-N-(methylcarbamoyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide (CID 41119437) is (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide is C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide?
The InChIKey is LVKGUJSTWCAHRG-NVXWUHKLSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-15(29-21-23-24-25-26(21)14-17-10-7-13-28-17)20(27)22-19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3,(H,22,27)/t15-,17-/m1/s1.
What are the key properties of (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide?
(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide has a molecular weight of 409.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 41119437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).