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

C15H16ClN3OS — CID 23611424

IUPACN-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C15H16ClN3OS/c1-9-8-14(18-11(3)17-9)21-10(2)15(20)19-13-7-5-4-6-12(13)16/h4-8,10H,1-3H3,(H,19,20)
InChIKeySKPQJMUCRZBYCW-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.87
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 23611424) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID23611424
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C15H16ClN3OS/c1-9-8-14(18-11(3)17-9)21-10(2)15(20)19-13-7-5-4-6-12(13)16/h4-8,10H,1-3H3,(H,19,20)
InChIKeySKPQJMUCRZBYCW-UHFFFAOYSA-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)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
N-(2,6-difluorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide
CID 46435717
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 42353231
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-propylpropanamide
CID 46402563
(2S)-N-(2-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738836
methyl (2S)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanoate
CID 51934014
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 9160683
(2S)-N-(2-chlorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9308008

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide (CID 23611424) is N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)Nc2ccccc2Cl)nc(C)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is SKPQJMUCRZBYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9-8-14(18-11(3)17-9)21-10(2)15(20)19-13-7-5-4-6-12(13)16/h4-8,10H,1-3H3,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide?
N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-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 N-(2-chlorophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 23611424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).