(2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide

C20H27NO2S — CID 124859152

IUPAC(2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
SMILESCSc1ccc(O[C@H](C)C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1
InChIInChI=1S/C20H27NO2S/c1-12(23-14-6-8-15(24-2)9-7-14)20(22)21-19-11-13-10-18(19)17-5-3-4-16(13)17/h6-9,12-13,16-19H,3-5,10-11H2,1-2H3,(H,21,22)/t12-,13-,16+,17-,18+,19-/m1/s1
InChIKeyWGGFEESJCVWXHD-NFXQELDMSA-N
MW345.51 g/mol
LogP4.12
Rot. Bonds5

About (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide

(2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide (PubChem CID 124859152) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
PubChem CID124859152
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name(2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
SMILESCSc1ccc(O[C@H](C)C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1
InChIInChI=1S/C20H27NO2S/c1-12(23-14-6-8-15(24-2)9-7-14)20(22)21-19-11-13-10-18(19)17-5-3-4-16(13)17/h6-9,12-13,16-19H,3-5,10-11H2,1-2H3,(H,21,22)/t12-,13-,16+,17-,18+,19-/m1/s1
InChIKeyWGGFEESJCVWXHD-NFXQELDMSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
CID 98112246
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812015
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071
2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046803
(2R)-N-(4-methoxyphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 25435383
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide?
The IUPAC name of (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide (CID 124859152) is (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide?
The canonical SMILES for (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide is CSc1ccc(O[C@H](C)C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1.
What is the InChIKey of (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide?
The InChIKey is WGGFEESJCVWXHD-NFXQELDMSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-12(23-14-6-8-15(24-2)9-7-14)20(22)21-19-11-13-10-18(19)17-5-3-4-16(13)17/h6-9,12-13,16-19H,3-5,10-11H2,1-2H3,(H,21,22)/t12-,13-,16+,17-,18+,19-/m1/s1.
What are the key properties of (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide?
(2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide has a molecular weight of 345.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylsulfanylphenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide is sourced from PubChem (CID 124859152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).