2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide

C20H25N3O2S — CID 42883471

IUPAC2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)c1c(C)nc(C)nc1SC(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C20H25N3O2S/c1-11(2)16-9-7-8-10-17(16)23-19(25)14(5)26-20-18(13(4)24)12(3)21-15(6)22-20/h7-11,14H,1-6H3,(H,23,25)
InChIKeyTXAGCOQDERMVLF-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.54
Rot. Bonds6

About 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide

2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 42883471) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
PubChem CID42883471
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)c1c(C)nc(C)nc1SC(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C20H25N3O2S/c1-11(2)16-9-7-8-10-17(16)23-19(25)14(5)26-20-18(13(4)24)12(3)21-15(6)22-20/h7-11,14H,1-6H3,(H,23,25)
InChIKeyTXAGCOQDERMVLF-UHFFFAOYSA-N
XLogP4.54
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42883921
(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 25474370
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145059
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145064
(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 33228420
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 46624921
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 46687583
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24579339
2-[3,7-dimethyl-1-(2-methylpropyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 17439496
4-[1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid
CID 43514193

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide (CID 42883471) is 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide is CC(=O)c1c(C)nc(C)nc1SC(C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is TXAGCOQDERMVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-11(2)16-9-7-8-10-17(16)23-19(25)14(5)26-20-18(13(4)24)12(3)21-15(6)22-20/h7-11,14H,1-6H3,(H,23,25).
What are the key properties of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 371.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 42883471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).