2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide

C23H27N5O2S2 — CID 2581900

IUPAC2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccc(Nc2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3CC)s2)cc1
InChIInChI=1S/C23H27N5O2S2/c1-4-16-10-12-18(13-11-16)24-22-26-27-23(32-22)31-15-21(30)28(3)14-20(29)25-19-9-7-6-8-17(19)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,24,26)(H,25,29)
InChIKeyWPCNCJXOGIXVOD-UHFFFAOYSA-N
MW469.64 g/mol
LogP4.60
Rot. Bonds10

About 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide

2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 2581900) has the molecular formula C23H27N5O2S2 and a molecular weight of 469.64 g/mol. Its IUPAC name is 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID2581900
Molecular FormulaC23H27N5O2S2
Molecular Weight469.64 g/mol
Exact Mass469.16
IUPAC Name2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccc(Nc2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3CC)s2)cc1
InChIInChI=1S/C23H27N5O2S2/c1-4-16-10-12-18(13-11-16)24-22-26-27-23(32-22)31-15-21(30)28(3)14-20(29)25-19-9-7-6-8-17(19)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,24,26)(H,25,29)
InChIKeyWPCNCJXOGIXVOD-UHFFFAOYSA-N
XLogP4.60
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.64
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide (CID 2581900) is 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccc(Nc2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3CC)s2)cc1.
What is the InChIKey of 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is WPCNCJXOGIXVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S2/c1-4-16-10-12-18(13-11-16)24-22-26-27-23(32-22)31-15-21(30)28(3)14-20(29)25-19-9-7-6-8-17(19)5-2/h6-13H,4-5,14-15H2,1-3H3,(H,24,26)(H,25,29).
What are the key properties of 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 469.64 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 2581900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).