N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H19N3O2S3 — CID 18090611

IUPACN-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)N(CCc1cccs1)Cc1cccs1
InChIInChI=1S/C20H19N3O2S3/c24-19(6-5-18-21-20(22-25-18)15-8-12-26-14-15)23(13-17-4-2-11-28-17)9-7-16-3-1-10-27-16/h1-4,8,10-12,14H,5-7,9,13H2
InChIKeyCBNONTWGTLHACK-UHFFFAOYSA-N
MW429.59 g/mol
LogP5.13
Rot. Bonds9

About N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18090611) has the molecular formula C20H19N3O2S3 and a molecular weight of 429.59 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18090611
Molecular FormulaC20H19N3O2S3
Molecular Weight429.59 g/mol
Exact Mass429.06
IUPAC NameN-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)N(CCc1cccs1)Cc1cccs1
InChIInChI=1S/C20H19N3O2S3/c24-19(6-5-18-21-20(22-25-18)15-8-12-26-14-15)23(13-17-4-2-11-28-17)9-7-16-3-1-10-27-16/h1-4,8,10-12,14H,5-7,9,13H2
InChIKeyCBNONTWGTLHACK-UHFFFAOYSA-N
XLogP5.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596432
4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511534
N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide
CID 8967841
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117129
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18112198
N-methyl-N-(thiophen-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117389
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86926787
1-thiomorpholin-4-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 56813515
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 31836258
4-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butanoic acid
CID 55006126

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18090611) is N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)N(CCc1cccs1)Cc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CBNONTWGTLHACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S3/c24-19(6-5-18-21-20(22-25-18)15-8-12-26-14-15)23(13-17-4-2-11-28-17)9-7-16-3-1-10-27-16/h1-4,8,10-12,14H,5-7,9,13H2.
What are the key properties of N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 429.59 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18090611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).