N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide

C31H36N4O3S — CID 3993756

About N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide

N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 3993756) has the molecular formula C31H36N4O3S and a molecular weight of 544.72 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

• Compound Name: N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
• PubChem CID: 3993756
• Molecular Formula: C31H36N4O3S
• Molecular Weight: 544.72 g/mol
• Exact Mass: 544.25
• IUPAC Name: N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
• SMILES: COCCN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)c1nc(Cc2cccc(OC)c2)ns1
• InChI: InChI=1S/C31H36N4O3S/c1-37-21-20-35(31-33-29(34-39-31)23-24-10-9-15-27(22-24)38-2)19-17-30(36)32-18-16-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-15,22,28H,16-21,23H2,1-2H3,(H,32,36)
• InChIKey: OCEIWLXBJQEKDB-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.72
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?

The IUPAC name of N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 3993756) is N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide.

What is the SMILES notation for N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?

The canonical SMILES for N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide is COCCN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)c1nc(Cc2cccc(OC)c2)ns1.

What is the InChIKey of N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?

The InChIKey is OCEIWLXBJQEKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3S/c1-37-21-20-35(31-33-29(34-39-31)23-24-10-9-15-27(22-24)38-2)19-17-30(36)32-18-16-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-15,22,28H,16-21,23H2,1-2H3,(H,32,36).

What are the key properties of N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide?

N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 544.72 g/mol, XLogP of 5.32, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 3993756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).