N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide

C21H20N4O2S — CID 1435153

IUPACN-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C21H20N4O2S/c1-13(26)22-15-5-4-6-16(11-15)23-19(27)12-28-21-17-7-2-3-8-18(17)24-20(25-21)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyCGKGDAQHVNJJNE-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.20
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1435153) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
PubChem CID1435153
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C21H20N4O2S/c1-13(26)22-15-5-4-6-16(11-15)23-19(27)12-28-21-17-7-2-3-8-18(17)24-20(25-21)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyCGKGDAQHVNJJNE-UHFFFAOYSA-N
XLogP4.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide (CID 1435153) is N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is CGKGDAQHVNJJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-13(26)22-15-5-4-6-16(11-15)23-19(27)12-28-21-17-7-2-3-8-18(17)24-20(25-21)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 392.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1435153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).