2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide

C19H21N3O2S — CID 42889548

IUPAC2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
SMILESCC(=O)c1c(C)nc(C)nc1SC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-11-16(12(2)23)19(21-13(3)20-11)25-17(14-7-5-4-6-8-14)18(24)22-15-9-10-15/h4-8,15,17H,9-10H2,1-3H3,(H,22,24)
InChIKeyMFKGPHQNPOHPRL-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.41
Rot. Bonds6

About 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide

2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide (PubChem CID 42889548) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
PubChem CID42889548
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
SMILESCC(=O)c1c(C)nc(C)nc1SC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H21N3O2S/c1-11-16(12(2)23)19(21-13(3)20-11)25-17(14-7-5-4-6-8-14)18(24)22-15-9-10-15/h4-8,15,17H,9-10H2,1-3H3,(H,22,24)
InChIKeyMFKGPHQNPOHPRL-UHFFFAOYSA-N
XLogP3.41
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 40670039
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642
(2R)-N-cyclopropyl-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 40657345
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
N-cyclopropyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylacetamide
CID 43031737
N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
CID 24585487
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005
N-cyclopropyl-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134304
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42883921
N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 25239359
N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 24520045
N-cyclopropyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210204

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide (CID 42889548) is 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide is CC(=O)c1c(C)nc(C)nc1SC(C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
The InChIKey is MFKGPHQNPOHPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-16(12(2)23)19(21-13(3)20-11)25-17(14-7-5-4-6-8-14)18(24)22-15-9-10-15/h4-8,15,17H,9-10H2,1-3H3,(H,22,24).
What are the key properties of 2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide?
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide has a molecular weight of 355.46 g/mol, XLogP of 3.41, 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-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 42889548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).