N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide

C17H19N3O2S — CID 46304700

IUPACN-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H19N3O2S/c1-4-15(23-16-9-11(2)18-10-19-16)17(22)20-14-7-5-13(6-8-14)12(3)21/h5-10,15H,4H2,1-3H3,(H,20,22)
InChIKeyFPGMKCSRCORBFA-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.50
Rot. Bonds6

About N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide

N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide (PubChem CID 46304700) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
PubChem CID46304700
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H19N3O2S/c1-4-15(23-16-9-11(2)18-10-19-16)17(22)20-14-7-5-13(6-8-14)12(3)21/h5-10,15H,4H2,1-3H3,(H,20,22)
InChIKeyFPGMKCSRCORBFA-UHFFFAOYSA-N
XLogP3.50
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46300894
N-(3,5-dichlorophenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304688
N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304710
(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 949421
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304715
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
CID 46304677
(2R)-N-(4-acetylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 834126
(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42345492
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304773
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304723
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304722
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide (CID 46304700) is N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide is CCC(Sc1cc(C)ncn1)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
The InChIKey is FPGMKCSRCORBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-4-15(23-16-9-11(2)18-10-19-16)17(22)20-14-7-5-13(6-8-14)12(3)21/h5-10,15H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide?
N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide has a molecular weight of 329.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide is sourced from PubChem (CID 46304700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).