2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C24H29N5O3S2 — CID 39968435

IUPAC2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCCOc1ccccc1Nc1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)s1
InChIInChI=1S/C24H29N5O3S2/c1-2-32-21-10-6-5-9-20(21)26-23-27-28-24(34-23)33-17-22(30)25-15-18-7-3-4-8-19(18)16-29-11-13-31-14-12-29/h3-10H,2,11-17H2,1H3,(H,25,30)(H,26,27)
InChIKeyULFQILYGQMKBPG-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.92
Rot. Bonds11

About 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 39968435) has the molecular formula C24H29N5O3S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID39968435
Molecular FormulaC24H29N5O3S2
Molecular Weight499.66 g/mol
Exact Mass499.17
IUPAC Name2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCCOc1ccccc1Nc1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)s1
InChIInChI=1S/C24H29N5O3S2/c1-2-32-21-10-6-5-9-20(21)26-23-27-28-24(34-23)33-17-22(30)25-15-18-7-3-4-8-19(18)16-29-11-13-31-14-12-29/h3-10H,2,11-17H2,1H3,(H,25,30)(H,26,27)
InChIKeyULFQILYGQMKBPG-UHFFFAOYSA-N
XLogP3.92
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-butyl-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2589197
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2402342
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 36858418
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2633205
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 29154805
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 2589299
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 34398960
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2679935
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51313489
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2696395
1-(2,4-dihydroxyphenyl)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2078966
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 39968435) is 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is CCOc1ccccc1Nc1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)s1.
What is the InChIKey of 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is ULFQILYGQMKBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S2/c1-2-32-21-10-6-5-9-20(21)26-23-27-28-24(34-23)33-17-22(30)25-15-18-7-3-4-8-19(18)16-29-11-13-31-14-12-29/h3-10H,2,11-17H2,1H3,(H,25,30)(H,26,27).
What are the key properties of 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 499.66 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 39968435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).