N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C20H19N3OS — CID 2642167

IUPACN-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c1-15-12-13-21-20(22-15)25-14-18(24)23-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,23,24)
InChIKeyIRKBFXVWSCGIIT-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.78
Rot. Bonds6

About N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2642167) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2642167
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c1-15-12-13-21-20(22-15)25-14-18(24)23-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,23,24)
InChIKeyIRKBFXVWSCGIIT-UHFFFAOYSA-N
XLogP3.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 2642167) is N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1ccnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is IRKBFXVWSCGIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-15-12-13-21-20(22-15)25-14-18(24)23-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,19H,14H2,1H3,(H,23,24).
What are the key properties of N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2642167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).