N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C22H25N3O3S — CID 133210565

IUPACN-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCCN(Cc1nc(-c2cccs2)no1)C(=O)C(C)Oc1cccc2c1CCCC2
InChIInChI=1S/C22H25N3O3S/c1-3-25(14-20-23-21(24-28-20)19-12-7-13-29-19)22(26)15(2)27-18-11-6-9-16-8-4-5-10-17(16)18/h6-7,9,11-13,15H,3-5,8,10,14H2,1-2H3
InChIKeyVVJCDYSVFNKDCG-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.49
Rot. Bonds7

About N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 133210565) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID133210565
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCCN(Cc1nc(-c2cccs2)no1)C(=O)C(C)Oc1cccc2c1CCCC2
InChIInChI=1S/C22H25N3O3S/c1-3-25(14-20-23-21(24-28-20)19-12-7-13-29-19)22(26)15(2)27-18-11-6-9-16-8-4-5-10-17(16)18/h6-7,9,11-13,15H,3-5,8,10,14H2,1-2H3
InChIKeyVVJCDYSVFNKDCG-UHFFFAOYSA-N
XLogP4.49
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-naphthalen-1-yloxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132666684
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132661088
(2R)-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100742857
(2S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100629800
2-(4-tert-butylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132661093
2-(2-methylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132652415
(2S)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100649436
2-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropanoic acid
CID 62820836
2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132658123
(2R)-N-methyl-2-(3-methylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97267472
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 133210565) is N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CCN(Cc1nc(-c2cccs2)no1)C(=O)C(C)Oc1cccc2c1CCCC2.
What is the InChIKey of N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is VVJCDYSVFNKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-25(14-20-23-21(24-28-20)19-12-7-13-29-19)22(26)15(2)27-18-11-6-9-16-8-4-5-10-17(16)18/h6-7,9,11-13,15H,3-5,8,10,14H2,1-2H3.
What are the key properties of N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 411.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 133210565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).