(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C21H23N3O2S — CID 8851397

IUPAC(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-12-6-9-18(15(4)10-12)22-19(25)16(5)27-21-24-23-20(26-21)17-8-7-13(2)14(3)11-17/h6-11,16H,1-5H3,(H,22,25)/t16-/m1/s1
InChIKeyGBCPPNDAEJWGFY-MRXNPFEDSA-N
MW381.50 g/mol
LogP5.09
Rot. Bonds5

About (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 8851397) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID8851397
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-12-6-9-18(15(4)10-12)22-19(25)16(5)27-21-24-23-20(26-21)17-8-7-13(2)14(3)11-17/h6-11,16H,1-5H3,(H,22,25)/t16-/m1/s1
InChIKeyGBCPPNDAEJWGFY-MRXNPFEDSA-N
XLogP5.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

(2R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide
CID 9382590
(2S)-N-(2-chlorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8851367
N-(2,4-dimethylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 84865773
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7794608
(2R)-N-(2,5-difluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8851474
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 40815399
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7412469
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide
CID 7794363
(2S)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8851409
(2S)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 8552797
(2R)-N-(3-cyanophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7412435
(2R)-N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556784

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 8851397) is (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)c(C)c3)o2)c(C)c1.
What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is GBCPPNDAEJWGFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-12-6-9-18(15(4)10-12)22-19(25)16(5)27-21-24-23-20(26-21)17-8-7-13(2)14(3)11-17/h6-11,16H,1-5H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8851397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).