2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide

C18H23N3OS — CID 46304677

IUPAC2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C18H23N3OS/c1-5-16(23-17-10-13(4)19-11-20-17)18(22)21-15-9-7-6-8-14(15)12(2)3/h6-12,16H,5H2,1-4H3,(H,21,22)
InChIKeyCNXCUPUAFCRBER-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.42
Rot. Bonds6

About 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide

2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 46304677) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
PubChem CID46304677
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
SMILESCCC(Sc1cc(C)ncn1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C18H23N3OS/c1-5-16(23-17-10-13(4)19-11-20-17)18(22)21-15-9-7-6-8-14(15)12(2)3/h6-12,16H,5H2,1-4H3,(H,21,22)
InChIKeyCNXCUPUAFCRBER-UHFFFAOYSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46300894
(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 1408761
N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304700
N-(3,5-dichlorophenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304688
N-(2,3-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46304908
N-(2-fluorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide
CID 46300902
N-[4-(2-methylpropylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304710
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304722
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methylphenyl)butanamide
CID 23858334
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
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide (CID 46304677) is 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide is CCC(Sc1cc(C)ncn1)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is CNXCUPUAFCRBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-5-16(23-17-10-13(4)19-11-20-17)18(22)21-15-9-7-6-8-14(15)12(2)3/h6-12,16H,5H2,1-4H3,(H,21,22).
What are the key properties of 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide?
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 329.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 46304677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).