N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide

C18H15N3OS — CID 851612

IUPACN-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CSc2ncccn2)cc1
InChIInChI=1S/C18H15N3OS/c22-17(21-16-5-2-1-3-6-16)15-9-7-14(8-10-15)13-23-18-19-11-4-12-20-18/h1-12H,13H2,(H,21,22)
InChIKeyVWYFQKPUVQBDLP-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.02
Rot. Bonds5

About N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide

N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide (PubChem CID 851612) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
PubChem CID851612
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CSc2ncccn2)cc1
InChIInChI=1S/C18H15N3OS/c22-17(21-16-5-2-1-3-6-16)15-9-7-14(8-10-15)13-23-18-19-11-4-12-20-18/h1-12H,13H2,(H,21,22)
InChIKeyVWYFQKPUVQBDLP-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 7570194
4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
CID 17452850
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 7760139
4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide
CID 112845769
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide
CID 31903464
N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide
CID 47060460
N-[3-(phenylcarbamoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55515308
4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
CID 3641138
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 7845343

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide (CID 851612) is N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is O=C(Nc1ccccc1)c1ccc(CSc2ncccn2)cc1.
What is the InChIKey of N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The InChIKey is VWYFQKPUVQBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-17(21-16-5-2-1-3-6-16)15-9-7-14(8-10-15)13-23-18-19-11-4-12-20-18/h1-12H,13H2,(H,21,22).
What are the key properties of N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide has a molecular weight of 321.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 851612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).