4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide

C20H19N3OS — CID 31903464

IUPAC4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide
SMILESCc1cc(SCc2ccc(C(=O)Nc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C20H19N3OS/c1-14-12-19(22-15(2)21-14)25-13-16-8-10-17(11-9-16)20(24)23-18-6-4-3-5-7-18/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyJYYKAXPPDPWKHA-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.64
Rot. Bonds5

About 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide

4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide (PubChem CID 31903464) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide
PubChem CID31903464
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide
SMILESCc1cc(SCc2ccc(C(=O)Nc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C20H19N3OS/c1-14-12-19(22-15(2)21-14)25-13-16-8-10-17(11-9-16)20(24)23-18-6-4-3-5-7-18/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyJYYKAXPPDPWKHA-UHFFFAOYSA-N
XLogP4.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.64
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
N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
CID 851612
4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
CID 17452850
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]benzonitrile
CID 31905536
ethyl 2-[2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 8590634
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 7760139
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
CID 27711486
4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide
CID 3641138
N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2284612
methyl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate
CID 4543518

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide?
The IUPAC name of 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide (CID 31903464) is 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide is Cc1cc(SCc2ccc(C(=O)Nc3ccccc3)cc2)nc(C)n1.
What is the InChIKey of 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide?
The InChIKey is JYYKAXPPDPWKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-12-19(22-15(2)21-14)25-13-16-8-10-17(11-9-16)20(24)23-18-6-4-3-5-7-18/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide?
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide has a molecular weight of 349.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-N-phenylbenzamide is sourced from PubChem (CID 31903464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).