N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide

C24H21FN4O2S — CID 5142311

IUPACN-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21FN4O2S/c1-2-31-19-13-11-17(12-14-19)26-22(30)15-32-24-28-21-6-4-3-5-20(21)23(29-24)27-18-9-7-16(25)8-10-18/h3-14H,2,15H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyRALSCZRSCADZBS-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.64
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide

N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide (PubChem CID 5142311) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
PubChem CID5142311
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21FN4O2S/c1-2-31-19-13-11-17(12-14-19)26-22(30)15-32-24-28-21-6-4-3-5-20(21)23(29-24)27-18-9-7-16(25)8-10-18/h3-14H,2,15H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyRALSCZRSCADZBS-UHFFFAOYSA-N
XLogP5.64
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 4112498
2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 5142318
N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 3359750
2-[4-(3,4-difluoroanilino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 4301486
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide
CID 164617835
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7428484
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
CID 23606567
ethyl 4-[[2-[4-(benzylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 6616406
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1143750

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide (CID 5142311) is N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is RALSCZRSCADZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-2-31-19-13-11-17(12-14-19)26-22(30)15-32-24-28-21-6-4-3-5-20(21)23(29-24)27-18-9-7-16(25)8-10-18/h3-14H,2,15H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide?
N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 448.52 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 5142311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).