(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide

C15H16ClN3OS — CID 42353215

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ncn1
InChIInChI=1S/C15H16ClN3OS/c1-9-4-5-12(16)7-13(9)19-15(20)11(3)21-14-6-10(2)17-8-18-14/h4-8,11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyQGHDZERVMOCCRH-LLVKDONJSA-N
MW321.83 g/mol
LogP3.87
Rot. Bonds4

About (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide

(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 42353215) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID42353215
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ncn1
InChIInChI=1S/C15H16ClN3OS/c1-9-4-5-12(16)7-13(9)19-15(20)11(3)21-14-6-10(2)17-8-18-14/h4-8,11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyQGHDZERVMOCCRH-LLVKDONJSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42345492
(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 1408761
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27241479
N-(5-chloro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622670
N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46625154
(2S)-N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42353248
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18075928
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide (CID 42353215) is (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide is Cc1cc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ncn1.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is QGHDZERVMOCCRH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9-4-5-12(16)7-13(9)19-15(20)11(3)21-14-6-10(2)17-8-18-14/h4-8,11H,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 321.83 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 42353215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).