(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide

C17H23N3O3S — CID 95064165

IUPAC(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide
SMILESCCCc1nc(C[S@](=O)[C@H](C)C(=O)NCc2ccc(C)cc2)no1
InChIInChI=1S/C17H23N3O3S/c1-4-5-16-19-15(20-23-16)11-24(22)13(3)17(21)18-10-14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)/t13-,24+/m1/s1
InChIKeyWNNFORLUSOQGQR-OZAJXLCCSA-N
MW349.46 g/mol
LogP2.28
Rot. Bonds8

About (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide

(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide (PubChem CID 95064165) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide
PubChem CID95064165
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide
SMILESCCCc1nc(C[S@](=O)[C@H](C)C(=O)NCc2ccc(C)cc2)no1
InChIInChI=1S/C17H23N3O3S/c1-4-5-16-19-15(20-23-16)11-24(22)13(3)17(21)18-10-14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)/t13-,24+/m1/s1
InChIKeyWNNFORLUSOQGQR-OZAJXLCCSA-N
XLogP2.28
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide with MolForge

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(4-methylphenyl)methyl]propanamide
CID 86989471
4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 5106222
3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121495878
(2S)-N-benzyl-2-[(R)-(2-methylphenyl)methylsulfinyl]propanamide
CID 95599295
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62827855
2-[ethyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
CID 111489942
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
3-[[(S)-[(1R)-1-(1-phenyltriazol-4-yl)ethyl]sulfinyl]methyl]-5-propyl-1,2,4-oxadiazole
CID 97225958
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
3-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 46355090
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 131949110

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide?
The IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide (CID 95064165) is (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide.
What is the SMILES notation for (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide?
The canonical SMILES for (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide is CCCc1nc(C[S@](=O)[C@H](C)C(=O)NCc2ccc(C)cc2)no1.
What is the InChIKey of (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide?
The InChIKey is WNNFORLUSOQGQR-OZAJXLCCSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-5-16-19-15(20-23-16)11-24(22)13(3)17(21)18-10-14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)/t13-,24+/m1/s1.
What are the key properties of (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide?
(2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methylphenyl)methyl]-2-[(S)-(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 95064165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).