3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide

C20H23N3O5S — CID 90607611

IUPAC3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccsc2-c2nc(C)no2)cc(OCC)c1OCC
InChIInChI=1S/C20H23N3O5S/c1-5-25-15-10-13(11-16(26-6-2)17(15)27-7-3)19(24)22-14-8-9-29-18(14)20-21-12(4)23-28-20/h8-11H,5-7H2,1-4H3,(H,22,24)
InChIKeyLOEZMPBCQPAJSH-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.55
Rot. Bonds9

About 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide

3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide (PubChem CID 90607611) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
PubChem CID90607611
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccsc2-c2nc(C)no2)cc(OCC)c1OCC
InChIInChI=1S/C20H23N3O5S/c1-5-25-15-10-13(11-16(26-6-2)17(15)27-7-3)19(24)22-14-8-9-29-18(14)20-21-12(4)23-28-20/h8-11H,5-7H2,1-4H3,(H,22,24)
InChIKeyLOEZMPBCQPAJSH-UHFFFAOYSA-N
XLogP4.55
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-diethoxybenzamide
CID 90607900
3,4,5-triethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 71800437
5-chloro-2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607625
2,4-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,3-thiazole-5-carboxamide
CID 90607675
5-(furan-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1,2-oxazole-3-carboxamide
CID 90607549
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607660
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea
CID 90607747
1-benzhydryl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607744
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide (CID 90607611) is 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide is CCOc1cc(C(=O)Nc2ccsc2-c2nc(C)no2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
The InChIKey is LOEZMPBCQPAJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-5-25-15-10-13(11-16(26-6-2)17(15)27-7-3)19(24)22-14-8-9-29-18(14)20-21-12(4)23-28-20/h8-11H,5-7H2,1-4H3,(H,22,24).
What are the key properties of 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide?
3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 90607611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).