N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C23H27N3O3S — CID 78840908

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)Sc1nnc(CC(C)c2ccccc2)o1
InChIInChI=1S/C23H27N3O3S/c1-15(18-10-6-5-7-11-18)14-21-25-26-23(29-21)30-17(3)22(27)24-16(2)19-12-8-9-13-20(19)28-4/h5-13,15-17H,14H2,1-4H3,(H,24,27)
InChIKeyPAFKVZWAKUNISA-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.78
Rot. Bonds9

About N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 78840908) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID78840908
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)Sc1nnc(CC(C)c2ccccc2)o1
InChIInChI=1S/C23H27N3O3S/c1-15(18-10-6-5-7-11-18)14-21-25-26-23(29-21)30-17(3)22(27)24-16(2)19-12-8-9-13-20(19)28-4/h5-13,15-17H,14H2,1-4H3,(H,24,27)
InChIKeyPAFKVZWAKUNISA-UHFFFAOYSA-N
XLogP4.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78840907
N-(4-tert-butylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 112786699
N-(4-ethylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78766159
N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786651
N-[1-(4-fluorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 112787259
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7800856
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 41156520
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[5-[(2S)-2-phenylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 95351542
N-cyclohexyl-N-ethyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 112786708
4-methoxy-3-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzaldehyde
CID 55753601
N-[1-(3,4-dichlorophenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786603
N-(2-methyl-6-propan-2-ylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786767

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 78840908) is N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is COc1ccccc1C(C)NC(=O)C(C)Sc1nnc(CC(C)c2ccccc2)o1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is PAFKVZWAKUNISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-15(18-10-6-5-7-11-18)14-21-25-26-23(29-21)30-17(3)22(27)24-16(2)19-12-8-9-13-20(19)28-4/h5-13,15-17H,14H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 425.55 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 78840908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).