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N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C20H26N4O3S — CID 154819737

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)N(C)CCOc3ccccc3CC)CC2=O)s1
InChIInChI=1S/C20H26N4O3S/c1-4-14-8-6-7-9-16(14)27-11-10-23(3)19(26)15-12-18(25)24(13-15)20-22-21-17(5-2)28-20/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyDMEIOPUATDISLN-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 154819737) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID154819737
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)N(C)CCOc3ccccc3CC)CC2=O)s1
InChIInChI=1S/C20H26N4O3S/c1-4-14-8-6-7-9-16(14)27-11-10-23(3)19(26)15-12-18(25)24(13-15)20-22-21-17(5-2)28-20/h6-9,15H,4-5,10-13H2,1-3H3
InChIKeyDMEIOPUATDISLN-UHFFFAOYSA-N
XLogP2.55
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 154819737) is N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCc1nnc(N2CC(C(=O)N(C)CCOc3ccccc3CC)CC2=O)s1.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DMEIOPUATDISLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-4-14-8-6-7-9-16(14)27-11-10-23(3)19(26)15-12-18(25)24(13-15)20-22-21-17(5-2)28-20/h6-9,15H,4-5,10-13H2,1-3H3.
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154819737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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