2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

C23H23N5O5S2 — CID 25038021

About 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 25038021) has the molecular formula C23H23N5O5S2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
• PubChem CID: 25038021
• Molecular Formula: C23H23N5O5S2
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.11
• IUPAC Name: 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
• SMILES: CCn1c(SC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)nc2ccccc2c1=O
• InChI: InChI=1S/C23H23N5O5S2/c1-4-28-22(30)18-7-5-6-8-19(18)25-23(28)34-15(3)21(29)24-16-9-11-17(12-10-16)35(31,32)27-20-13-14(2)33-26-20/h5-13,15H,4H2,1-3H3,(H,24,29)(H,26,27)
• InChIKey: SBTSNWYCDZPAQF-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 136.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?

The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (CID 25038021) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.

What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?

The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is CCn1c(SC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)nc2ccccc2c1=O.

What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?

The InChIKey is SBTSNWYCDZPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S2/c1-4-28-22(30)18-7-5-6-8-19(18)25-23(28)34-15(3)21(29)24-16-9-11-17(12-10-16)35(31,32)27-20-13-14(2)33-26-20/h5-13,15H,4H2,1-3H3,(H,24,29)(H,26,27).

What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 513.60 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 25038021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).