2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide

C20H19N3OS — CID 856981

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C20H19N3OS/c1-13-5-4-6-15(11-13)21-18(24)12-25-20-16-7-2-3-8-17(16)22-19(23-20)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,21,24)
InChIKeyROAINMKXFVJCDP-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.55
Rot. Bonds5

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 856981) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID856981
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C20H19N3OS/c1-13-5-4-6-15(11-13)21-18(24)12-25-20-16-7-2-3-8-17(16)22-19(23-20)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,21,24)
InChIKeyROAINMKXFVJCDP-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 856981) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is ROAINMKXFVJCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13-5-4-6-15(11-13)21-18(24)12-25-20-16-7-2-3-8-17(16)22-19(23-20)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,21,24).
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 856981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).