N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide

C19H16FN3OS — CID 24591939

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H16FN3OS/c1-12-11-13(2)22-19(21-12)25-17-9-7-16(8-10-17)23-18(24)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,23,24)
InChIKeyITYMKAQYJVODNN-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.64
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide (PubChem CID 24591939) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
PubChem CID24591939
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H16FN3OS/c1-12-11-13(2)22-19(21-12)25-17-9-7-16(8-10-17)23-18(24)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,23,24)
InChIKeyITYMKAQYJVODNN-UHFFFAOYSA-N
XLogP4.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 4548878
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide
CID 30703297
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26208676
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55505444
2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 30257491
4-tert-butyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 5080814
4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(dimethylsulfamoyl)benzamide
CID 24659613
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methoxymethyl)benzamide
CID 30900594
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzamide
CID 664776
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112818880
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide (CID 24591939) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide is Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide?
The InChIKey is ITYMKAQYJVODNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-12-11-13(2)22-19(21-12)25-17-9-7-16(8-10-17)23-18(24)14-3-5-15(20)6-4-14/h3-11H,1-2H3,(H,23,24).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide has a molecular weight of 353.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 24591939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).