N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide

C15H16ClN3OS — CID 3155182

IUPACN-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C15H16ClN3OS/c1-10-9-11(2)18-15(17-10)21-8-7-14(20)19-13-6-4-3-5-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyOPEVOZBFWITEOK-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.87
Rot. Bonds5

About N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide

N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 3155182) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID3155182
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C15H16ClN3OS/c1-10-9-11(2)18-15(17-10)21-8-7-14(20)19-13-6-4-3-5-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyOPEVOZBFWITEOK-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (CID 3155182) is N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is Cc1cc(C)nc(SCCC(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is OPEVOZBFWITEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-10-9-11(2)18-15(17-10)21-8-7-14(20)19-13-6-4-3-5-12(13)16/h3-6,9H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 321.83 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 3155182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).