2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide

C18H16N4O2S — CID 53140663

IUPAC2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide
SMILESCc1nnc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)c(C)s2)o1
InChIInChI=1S/C18H16N4O2S/c1-10-15(8-16(25-10)18-22-21-11(2)24-18)20-17(23)7-12-9-19-14-6-4-3-5-13(12)14/h3-6,8-9,19H,7H2,1-2H3,(H,20,23)
InChIKeyLWZJYBGGWUAIHH-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.08
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide

2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide (PubChem CID 53140663) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide
PubChem CID53140663
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide
SMILESCc1nnc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)c(C)s2)o1
InChIInChI=1S/C18H16N4O2S/c1-10-15(8-16(25-10)18-22-21-11(2)24-18)20-17(23)7-12-9-19-14-6-4-3-5-13(12)14/h3-6,8-9,19H,7H2,1-2H3,(H,20,23)
InChIKeyLWZJYBGGWUAIHH-UHFFFAOYSA-N
XLogP4.08
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide (CID 53140663) is 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide is Cc1nnc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)c(C)s2)o1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide?
The InChIKey is LWZJYBGGWUAIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10-15(8-16(25-10)18-22-21-11(2)24-18)20-17(23)7-12-9-19-14-6-4-3-5-13(12)14/h3-6,8-9,19H,7H2,1-2H3,(H,20,23).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide?
2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide has a molecular weight of 352.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 53140663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).