5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole

C18H19N3O3S2 — CID 53041587

IUPAC5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2cc(S(=O)(=O)N3c4ccccc4CC3C)c(C)s2)no1
InChIInChI=1S/C18H19N3O3S2/c1-4-17-19-18(20-24-17)15-10-16(12(3)25-15)26(22,23)21-11(2)9-13-7-5-6-8-14(13)21/h5-8,10-11H,4,9H2,1-3H3
InChIKeyDQACXXGWKGWVIL-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.81
Rot. Bonds4

About 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole

5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole (PubChem CID 53041587) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole
PubChem CID53041587
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole
SMILESCCc1nc(-c2cc(S(=O)(=O)N3c4ccccc4CC3C)c(C)s2)no1
InChIInChI=1S/C18H19N3O3S2/c1-4-17-19-18(20-24-17)15-10-16(12(3)25-15)26(22,23)21-11(2)9-13-7-5-6-8-14(13)21/h5-8,10-11H,4,9H2,1-3H3
InChIKeyDQACXXGWKGWVIL-UHFFFAOYSA-N
XLogP3.81
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole (CID 53041587) is 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole is CCc1nc(-c2cc(S(=O)(=O)N3c4ccccc4CC3C)c(C)s2)no1.
What is the InChIKey of 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole?
The InChIKey is DQACXXGWKGWVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-4-17-19-18(20-24-17)15-10-16(12(3)25-15)26(22,23)21-11(2)9-13-7-5-6-8-14(13)21/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole?
5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole has a molecular weight of 389.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53041587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).