2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

C19H26N4O4S3 — CID 36609082

IUPAC2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(SCC(=O)Nc2cc(OCC)ccc2OCC)s1
InChIInChI=1S/C19H26N4O4S3/c1-4-9-20-16(24)11-28-18-22-23-19(30-18)29-12-17(25)21-14-10-13(26-5-2)7-8-15(14)27-6-3/h7-8,10H,4-6,9,11-12H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyNEFOHHNHRCBGGQ-UHFFFAOYSA-N
MW470.64 g/mol
LogP3.68
Rot. Bonds13

About 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide (PubChem CID 36609082) has the molecular formula C19H26N4O4S3 and a molecular weight of 470.64 g/mol. Its IUPAC name is 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
PubChem CID36609082
Molecular FormulaC19H26N4O4S3
Molecular Weight470.64 g/mol
Exact Mass470.11
IUPAC Name2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(SCC(=O)Nc2cc(OCC)ccc2OCC)s1
InChIInChI=1S/C19H26N4O4S3/c1-4-9-20-16(24)11-28-18-22-23-19(30-18)29-12-17(25)21-14-10-13(26-5-2)7-8-15(14)27-6-3/h7-8,10H,4-6,9,11-12H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyNEFOHHNHRCBGGQ-UHFFFAOYSA-N
XLogP3.68
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide with MolForge

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Related Compounds

N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(2,5-diethoxyphenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 42351961
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
N-butyl-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2589197
2-[[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 18129243
N-(2,5-diethoxyphenyl)-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetamide
CID 3386775
N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 36528919
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 37056388
N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175567
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
2-[[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376578

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide (CID 36609082) is 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(SCC(=O)Nc2cc(OCC)ccc2OCC)s1.
What is the InChIKey of 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
The InChIKey is NEFOHHNHRCBGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S3/c1-4-9-20-16(24)11-28-18-22-23-19(30-18)29-12-17(25)21-14-10-13(26-5-2)7-8-15(14)27-6-3/h7-8,10H,4-6,9,11-12H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide?
2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide has a molecular weight of 470.64 g/mol, XLogP of 3.68, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 36609082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).