5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide

C20H23N3O3S — CID 135665198

About 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide

5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 135665198) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
• PubChem CID: 135665198
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
• SMILES: CCc1sc(C(=O)N(CCOC)Cc2nc3ccccc3c(=O)[nH]2)cc1C
• InChI: InChI=1S/C20H23N3O3S/c1-4-16-13(2)11-17(27-16)20(25)23(9-10-26-3)12-18-21-15-8-6-5-7-14(15)19(24)22-18/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,22,24)
• InChIKey: CMQJLKQBDCCGGK-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?

The IUPAC name of 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide (CID 135665198) is 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide is CCc1sc(C(=O)N(CCOC)Cc2nc3ccccc3c(=O)[nH]2)cc1C.

What is the InChIKey of 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?

The InChIKey is CMQJLKQBDCCGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-16-13(2)11-17(27-16)20(25)23(9-10-26-3)12-18-21-15-8-6-5-7-14(15)19(24)22-18/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,22,24).

What are the key properties of 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide?

5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-(2-methoxyethyl)-4-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 135665198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).