N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide

C23H19N3O2S — CID 24585487

IUPACN-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(Sc1nc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N3O2S/c27-22(24-16-12-13-16)20(15-7-2-1-3-8-15)29-23-17-9-4-5-10-18(17)25-21(26-23)19-11-6-14-28-19/h1-11,14,16,20H,12-13H2,(H,24,27)
InChIKeyMVRZGGSHLUVLSY-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.00
Rot. Bonds6

About N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide

N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide (PubChem CID 24585487) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
PubChem CID24585487
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(Sc1nc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C23H19N3O2S/c27-22(24-16-12-13-16)20(15-7-2-1-3-8-15)29-23-17-9-4-5-10-18(17)25-21(26-23)19-11-6-14-28-19/h1-11,14,16,20H,12-13H2,(H,24,27)
InChIKeyMVRZGGSHLUVLSY-UHFFFAOYSA-N
XLogP5.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
CID 17444347
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 24585582
N-cyclopropyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46825180
N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 24520045
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 24585570
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824602
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 42889548
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465
N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46687521
N-cyclopropyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824360

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide (CID 24585487) is N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide is O=C(NC1CC1)C(Sc1nc(-c2ccco2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide?
The InChIKey is MVRZGGSHLUVLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-22(24-16-12-13-16)20(15-7-2-1-3-8-15)29-23-17-9-4-5-10-18(17)25-21(26-23)19-11-6-14-28-19/h1-11,14,16,20H,12-13H2,(H,24,27).
What are the key properties of N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide?
N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide has a molecular weight of 401.49 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 24585487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).