N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide

C21H24N4O2S3 — CID 24527779

About N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 24527779) has the molecular formula C21H24N4O2S3 and a molecular weight of 460.65 g/mol. Its IUPAC name is N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide
• PubChem CID: 24527779
• Molecular Formula: C21H24N4O2S3
• Molecular Weight: 460.65 g/mol
• Exact Mass: 460.11
• IUPAC Name: N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide
• SMILES: CCc1cccc(C)c1Nc1nnc(SCC(=O)c2ccc(CCNC(C)=O)s2)s1
• InChI: InChI=1S/C21H24N4O2S3/c1-4-15-7-5-6-13(2)19(15)23-20-24-25-21(30-20)28-12-17(27)18-9-8-16(29-18)10-11-22-14(3)26/h5-9H,4,10-12H2,1-3H3,(H,22,26)(H,23,24)
• InChIKey: XDZXVWSPXODWOE-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.65
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide?

The IUPAC name of N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide (CID 24527779) is N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide?

The canonical SMILES for N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide is CCc1cccc(C)c1Nc1nnc(SCC(=O)c2ccc(CCNC(C)=O)s2)s1.

What is the InChIKey of N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide?

The InChIKey is XDZXVWSPXODWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S3/c1-4-15-7-5-6-13(2)19(15)23-20-24-25-21(30-20)28-12-17(27)18-9-8-16(29-18)10-11-22-14(3)26/h5-9H,4,10-12H2,1-3H3,(H,22,26)(H,23,24).

What are the key properties of N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide?

N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 460.65 g/mol, XLogP of 4.87, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 24527779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).