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

C15H16ClN3OS — CID 975208

IUPAC(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3OS/c1-9-8-10(2)18-15(17-9)21-11(3)14(20)19-13-6-4-12(16)5-7-13/h4-8,11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyLRAZEGNVWQUBSN-LLVKDONJSA-N
MW321.83 g/mol
LogP3.87
Rot. Bonds4

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

(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 975208) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID975208
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3OS/c1-9-8-10(2)18-15(17-9)21-11(3)14(20)19-13-6-4-12(16)5-7-13/h4-8,11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyLRAZEGNVWQUBSN-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-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259
(2S)-N-(4-bromophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 1132604
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
(2S)-N-(4-chlorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 2587110
(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417263
2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25034798
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 40663409
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 62306346

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (CID 975208) is (2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is Cc1cc(C)nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is LRAZEGNVWQUBSN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9-8-10(2)18-15(17-9)21-11(3)14(20)19-13-6-4-12(16)5-7-13/h4-8,11H,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-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-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 975208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).