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

C19H17N3OS — CID 1252850

IUPACN-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1
InChIInChI=1S/C19H17N3OS/c1-14-5-2-3-6-17(14)22-18(23)16-9-7-15(8-10-16)13-24-19-20-11-4-12-21-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyKQPVABWVPDJCLC-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.33
Rot. Bonds5

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

N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide (PubChem CID 1252850) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
PubChem CID1252850
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1
InChIInChI=1S/C19H17N3OS/c1-14-5-2-3-6-17(14)22-18(23)16-9-7-15(8-10-16)13-24-19-20-11-4-12-21-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyKQPVABWVPDJCLC-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide (CID 1252850) is N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is Cc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
The InChIKey is KQPVABWVPDJCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-14-5-2-3-6-17(14)22-18(23)16-9-7-15(8-10-16)13-24-19-20-11-4-12-21-19/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide?
N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(pyrimidin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 1252850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).