N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide

C21H26N4O3S2 — CID 55436740

IUPACN,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C21H26N4O3S2/c1-3-25(4-2)30(26,27)17-9-10-18-16(15-17)11-13-24(18)12-5-8-20-22-21(23-28-20)19-7-6-14-29-19/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3
InChIKeyALLNRRVIQYVVJN-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.82
Rot. Bonds9

About N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55436740) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55436740
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C21H26N4O3S2/c1-3-25(4-2)30(26,27)17-9-10-18-16(15-17)11-13-24(18)12-5-8-20-22-21(23-28-20)19-7-6-14-29-19/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3
InChIKeyALLNRRVIQYVVJN-UHFFFAOYSA-N
XLogP3.82
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26567307
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412
N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435258
5-[3-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78829542
N,N-diethyl-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435486
2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 38268580
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928851
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
5-[3-(3-methylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65448841
5-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18201628

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide (CID 55436740) is N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CCCc1nc(-c2cccs2)no1.
What is the InChIKey of N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ALLNRRVIQYVVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-3-25(4-2)30(26,27)17-9-10-18-16(15-17)11-13-24(18)12-5-8-20-22-21(23-28-20)19-7-6-14-29-19/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3.
What are the key properties of N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 446.60 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55436740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).