N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C32H35N5O3S — CID 135662357

About N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135662357) has the molecular formula C32H35N5O3S and a molecular weight of 569.73 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135662357
• Molecular Formula: C32H35N5O3S
• Molecular Weight: 569.73 g/mol
• Exact Mass: 569.25
• IUPAC Name: N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCCSc1nc2n(n1)C(c1ccc(OCc3cccc(C)c3)cc1)C(C(=O)Nc1ccccc1OCC)=C(C)N2
• InChI: InChI=1S/C32H35N5O3S/c1-5-18-41-32-35-31-33-22(4)28(30(38)34-26-12-7-8-13-27(26)39-6-2)29(37(31)36-32)24-14-16-25(17-15-24)40-20-23-11-9-10-21(3)19-23/h7-17,19,29H,5-6,18,20H2,1-4H3,(H,34,38)(H,33,35,36)
• InChIKey: YXSZAOBDHNFSNB-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 90.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.73
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135662357) is N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCCSc1nc2n(n1)C(c1ccc(OCc3cccc(C)c3)cc1)C(C(=O)Nc1ccccc1OCC)=C(C)N2.

What is the InChIKey of N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is YXSZAOBDHNFSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3S/c1-5-18-41-32-35-31-33-22(4)28(30(38)34-26-12-7-8-13-27(26)39-6-2)29(37(31)36-32)24-14-16-25(17-15-24)40-20-23-11-9-10-21(3)19-23/h7-17,19,29H,5-6,18,20H2,1-4H3,(H,34,38)(H,33,35,36).

What are the key properties of N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 569.73 g/mol, XLogP of 6.99, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyphenyl)-5-methyl-7-[4-[(3-methylphenyl)methoxy]phenyl]-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135662357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).