N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C17H21N3OS — CID 2562985

IUPACN-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCCc2ccccc2)nc(C)c1C
InChIInChI=1S/C17H21N3OS/c1-12-13(2)19-17(20-14(12)3)22-11-16(21)18-10-9-15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,18,21)
InChIKeyIPMJHYLFJJUQSU-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.85
Rot. Bonds6

About N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2562985) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2562985
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCCc2ccccc2)nc(C)c1C
InChIInChI=1S/C17H21N3OS/c1-12-13(2)19-17(20-14(12)3)22-11-16(21)18-10-9-15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,18,21)
InChIKeyIPMJHYLFJJUQSU-UHFFFAOYSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2562985) is N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NCCc2ccccc2)nc(C)c1C.
What is the InChIKey of N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is IPMJHYLFJJUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-13(2)19-17(20-14(12)3)22-11-16(21)18-10-9-15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2562985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).