2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide

C23H18FN3OS — CID 1129852

IUPAC2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1
InChIInChI=1S/C23H18FN3OS/c1-15-6-5-9-18(12-15)25-21(28)14-29-23-19-13-17(24)10-11-20(19)26-22(27-23)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyNJFIOIBPRCAQDN-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.48
Rot. Bonds5

About 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 1129852) has the molecular formula C23H18FN3OS and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID1129852
Molecular FormulaC23H18FN3OS
Molecular Weight403.48 g/mol
Exact Mass403.12
IUPAC Name2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1
InChIInChI=1S/C23H18FN3OS/c1-15-6-5-9-18(12-15)25-21(28)14-29-23-19-13-17(24)10-11-20(19)26-22(27-23)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyNJFIOIBPRCAQDN-UHFFFAOYSA-N
XLogP5.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3136401
N'-[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]-3-methylbenzohydrazide
CID 1167934
2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 1459615
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetic acid
CID 1136287
2-(6-methyl-2-phenylquinazolin-4-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 3135641
N-(2-methylphenyl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3135640
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 1155973
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-prop-2-enylacetamide
CID 3808223
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3137509
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166643
2-[2-(4-fluorophenyl)-6-methylquinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3226769

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 1129852) is 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1.
What is the InChIKey of 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is NJFIOIBPRCAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3OS/c1-15-6-5-9-18(12-15)25-21(28)14-29-23-19-13-17(24)10-11-20(19)26-22(27-23)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1129852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).