(2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide

C19H23N3O2S — CID 135888776

About (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide

(2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide (PubChem CID 135888776) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide
• PubChem CID: 135888776
• Molecular Formula: C19H23N3O2S
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.15
• IUPAC Name: (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide
• SMILES: Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)c(C)c1
• InChI: InChI=1S/C19H23N3O2S/c1-11-8-9-15(12(2)10-11)20-17(23)13(3)25-19-21-16-7-5-4-6-14(16)18(24)22-19/h8-10,13H,4-7H2,1-3H3,(H,20,23)(H,21,22,24)/t13-/m1/s1
• InChIKey: CUKJGBSGHNLMKJ-CYBMUJFWSA-N
• XLogP: 3.38
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide?

The IUPAC name of (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide (CID 135888776) is (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide.

What is the SMILES notation for (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide?

The canonical SMILES for (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide is Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)c(C)c1.

What is the InChIKey of (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide?

The InChIKey is CUKJGBSGHNLMKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11-8-9-15(12(2)10-11)20-17(23)13(3)25-19-21-16-7-5-4-6-14(16)18(24)22-19/h8-10,13H,4-7H2,1-3H3,(H,20,23)(H,21,22,24)/t13-/m1/s1.

What are the key properties of (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide?

(2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide has a molecular weight of 357.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135888776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).