N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

C21H19N3O2S — CID 46304963

IUPACN-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCSc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C21H19N3O2S/c1-15(25)17-8-5-9-18(12-17)24-20(26)10-11-27-21-13-19(22-14-23-21)16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,24,26)
InChIKeyFKEWMVRKWCQBBB-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.47
Rot. Bonds7

About N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 46304963) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID46304963
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCSc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C21H19N3O2S/c1-15(25)17-8-5-9-18(12-17)24-20(26)10-11-27-21-13-19(22-14-23-21)16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,24,26)
InChIKeyFKEWMVRKWCQBBB-UHFFFAOYSA-N
XLogP4.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46305222
N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304958
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
3-(6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 46304971
N-(5-chloro-2-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304966
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 39773968
N-(3-chlorophenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46305207
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304999
N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 46304740
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334
2-(3-anilino-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 61300890
prop-2-enyl 4-methyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate
CID 46305004

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (CID 46304963) is N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is CC(=O)c1cccc(NC(=O)CCSc2cc(-c3ccccc3)ncn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is FKEWMVRKWCQBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15(25)17-8-5-9-18(12-17)24-20(26)10-11-27-21-13-19(22-14-23-21)16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,24,26).
What are the key properties of N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 377.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 46304963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).