N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide

C17H22N4O3S2 — CID 28527065

About N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide

N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide (PubChem CID 28527065) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
• PubChem CID: 28527065
• Molecular Formula: C17H22N4O3S2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.11
• IUPAC Name: N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
• SMILES: CCOc1ccc(NC(=O)CSCC(=O)Nc2nnc(C(C)C)s2)cc1
• InChI: InChI=1S/C17H22N4O3S2/c1-4-24-13-7-5-12(6-8-13)18-14(22)9-25-10-15(23)19-17-21-20-16(26-17)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,22)(H,19,21,23)
• InChIKey: LEVWFZZIOCLMSD-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide?

The IUPAC name of N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide (CID 28527065) is N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide?

The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide is CCOc1ccc(NC(=O)CSCC(=O)Nc2nnc(C(C)C)s2)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide?

The InChIKey is LEVWFZZIOCLMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-4-24-13-7-5-12(6-8-13)18-14(22)9-25-10-15(23)19-17-21-20-16(26-17)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,22)(H,19,21,23).

What are the key properties of N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide?

N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide has a molecular weight of 394.52 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide is sourced from PubChem (CID 28527065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).