N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide

C16H17N3O2S — CID 1108280

IUPACN-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H17N3O2S/c1-10-8-11(2)18-16(17-10)22-9-15(21)13-4-6-14(7-5-13)19-12(3)20/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyIEFMPTCWLPFBLK-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.03
Rot. Bonds5

About N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide

N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide (PubChem CID 1108280) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide
PubChem CID1108280
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C16H17N3O2S/c1-10-8-11(2)18-16(17-10)22-9-15(21)13-4-6-14(7-5-13)19-12(3)20/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyIEFMPTCWLPFBLK-UHFFFAOYSA-N
XLogP3.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide (CID 1108280) is N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide?
The InChIKey is IEFMPTCWLPFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-8-11(2)18-16(17-10)22-9-15(21)13-4-6-14(7-5-13)19-12(3)20/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide?
N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 1108280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).