N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide

C13H11Cl2N3OS — CID 18075928

IUPACN-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCC(Sc1ncccn1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2N3OS/c1-8(20-13-16-5-2-6-17-13)12(19)18-11-7-9(14)3-4-10(11)15/h2-8H,1H3,(H,18,19)
InChIKeyFGGGKGWHJOIEJD-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.90
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide

N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 18075928) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID18075928
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC NameN-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCC(Sc1ncccn1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2N3OS/c1-8(20-13-16-5-2-6-17-13)12(19)18-11-7-9(14)3-4-10(11)15/h2-8H,1H3,(H,18,19)
InChIKeyFGGGKGWHJOIEJD-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 17443656
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 18075984
N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 42968881
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 18207485
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 2488389
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 55315484
(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 94033104
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
3-chloro-N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 23097832

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide (CID 18075928) is N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide is CC(Sc1ncccn1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is FGGGKGWHJOIEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c1-8(20-13-16-5-2-6-17-13)12(19)18-11-7-9(14)3-4-10(11)15/h2-8H,1H3,(H,18,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide?
N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 328.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 18075928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).