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

C21H19N3O2S — CID 1435077

IUPACN-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C21H19N3O2S/c1-13(25)15-5-4-6-16(11-15)22-19(26)12-27-21-17-7-2-3-8-18(17)23-20(24-21)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,22,26)
InChIKeyMBVKDIRMACPSFQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.44
Rot. Bonds6

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

N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1435077) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
PubChem CID1435077
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C21H19N3O2S/c1-13(25)15-5-4-6-16(11-15)22-19(26)12-27-21-17-7-2-3-8-18(17)23-20(24-21)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,22,26)
InChIKeyMBVKDIRMACPSFQ-UHFFFAOYSA-N
XLogP4.44
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide (CID 1435077) is N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is MBVKDIRMACPSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13(25)15-5-4-6-16(11-15)22-19(26)12-27-21-17-7-2-3-8-18(17)23-20(24-21)14-9-10-14/h2-8,11,14H,9-10,12H2,1H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide?
N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 377.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1435077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).