N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide

C22H16FN3OS — CID 3359750

IUPACN-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1ccc(F)cc1
InChIInChI=1S/C22H16FN3OS/c23-16-10-12-17(13-11-16)24-20(27)14-28-22-25-19-9-5-4-8-18(19)21(26-22)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,27)
InChIKeyIKICSBXCIWOCHE-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.17
Rot. Bonds5

About N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide

N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 3359750) has the molecular formula C22H16FN3OS and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID3359750
Molecular FormulaC22H16FN3OS
Molecular Weight389.46 g/mol
Exact Mass389.10
IUPAC NameN-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1ccc(F)cc1
InChIInChI=1S/C22H16FN3OS/c23-16-10-12-17(13-11-16)24-20(27)14-28-22-25-19-9-5-4-8-18(19)21(26-22)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,27)
InChIKeyIKICSBXCIWOCHE-UHFFFAOYSA-N
XLogP5.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanylacetamide
CID 23606565
N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
CID 5142311
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 6407198
N-(4-methylpiperazin-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 4101336
N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
CID 23606567
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-[4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 3186706
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
2-[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide
CID 46262558
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
N-(3,5-difluorophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
CID 24567628
N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 7223501

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide (CID 3359750) is N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide is O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is IKICSBXCIWOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3OS/c23-16-10-12-17(13-11-16)24-20(27)14-28-22-25-19-9-5-4-8-18(19)21(26-22)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 389.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3359750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).