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

C15H15Cl2N3OS — CID 23804458

IUPACN-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H15Cl2N3OS/c1-9-8-10(2)19-15(18-9)22-7-6-13(21)20-12-5-3-4-11(16)14(12)17/h3-5,8H,6-7H2,1-2H3,(H,20,21)
InChIKeyBALURAANVLRHEZ-UHFFFAOYSA-N
MW356.28 g/mol
LogP4.52
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 23804458) has the molecular formula C15H15Cl2N3OS and a molecular weight of 356.28 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID23804458
Molecular FormulaC15H15Cl2N3OS
Molecular Weight356.28 g/mol
Exact Mass355.03
IUPAC NameN-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1cc(C)nc(SCCC(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H15Cl2N3OS/c1-9-8-10(2)19-15(18-9)22-7-6-13(21)20-12-5-3-4-11(16)14(12)17/h3-5,8H,6-7H2,1-2H3,(H,20,21)
InChIKeyBALURAANVLRHEZ-UHFFFAOYSA-N
XLogP4.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 851328
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
4-[3-(2,3-dichloroanilino)-3-oxopropyl]sulfanyl-3-methyloxadiazol-3-ium-5-olate
CID 53293685
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 23973232
N-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3926266
N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 3256970
N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 966905
3-(4-chlorophenyl)sulfanyl-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 17257510
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N-(2,3-dichlorophenyl)-3-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]propanamide
CID 53293686
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide (CID 23804458) is N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is Cc1cc(C)nc(SCCC(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is BALURAANVLRHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3OS/c1-9-8-10(2)19-15(18-9)22-7-6-13(21)20-12-5-3-4-11(16)14(12)17/h3-5,8H,6-7H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide?
N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 356.28 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 23804458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).