N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide

C20H18FN3OS — CID 46300902

IUPACN-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H18FN3OS/c1-2-18(20(25)24-16-11-7-6-10-15(16)21)26-19-12-17(22-13-23-19)14-8-4-3-5-9-14/h3-13,18H,2H2,1H3,(H,24,25)
InChIKeyBBRYIWBXTLDROG-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.79
Rot. Bonds6

About N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide

N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide (PubChem CID 46300902) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
PubChem CID46300902
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC NameN-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1F
InChIInChI=1S/C20H18FN3OS/c1-2-18(20(25)24-16-11-7-6-10-15(16)21)26-19-12-17(22-13-23-19)14-8-4-3-5-9-14/h3-13,18H,2H2,1H3,(H,24,25)
InChIKeyBBRYIWBXTLDROG-UHFFFAOYSA-N
XLogP4.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide 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-(2,3-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46304908
N-(3-chloro-4-methylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46300903
N-(2-methylphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46305121
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46304937
(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide
CID 27260653
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46304930
ethyl 4-phenyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate
CID 46305026
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
CID 46304677
ethyl 1-phenyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate
CID 46304933
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
N-(2-acetylphenyl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]butanamide
CID 6414174
N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23801417

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide?
The IUPAC name of N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide (CID 46300902) is N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide is CCC(Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide?
The InChIKey is BBRYIWBXTLDROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-2-18(20(25)24-16-11-7-6-10-15(16)21)26-19-12-17(22-13-23-19)14-8-4-3-5-9-14/h3-13,18H,2H2,1H3,(H,24,25).
What are the key properties of N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide?
N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide has a molecular weight of 367.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide is sourced from PubChem (CID 46300902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).