N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide

C19H21NO2S — CID 42950256

IUPACN-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)SCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2S/c1-13-4-6-16(7-5-13)12-23-15(3)19(22)20-18-10-8-17(9-11-18)14(2)21/h4-11,15H,12H2,1-3H3,(H,20,22)
InChIKeyFSJOFAAUJLVNRS-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.46
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide

N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide (PubChem CID 42950256) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide
PubChem CID42950256
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)SCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2S/c1-13-4-6-16(7-5-13)12-23-15(3)19(22)20-18-10-8-17(9-11-18)14(2)21/h4-11,15H,12H2,1-3H3,(H,20,22)
InChIKeyFSJOFAAUJLVNRS-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 8580106
N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide
CID 42950261
N-(4-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581137
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773087
4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
CID 8580249
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
(2S)-N-(4-acetylphenyl)-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanamide
CID 51659089
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
2-benzylsulfanyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17297277
(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946
2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 18153408

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide (CID 42950256) is N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide is CC(=O)c1ccc(NC(=O)C(C)SCc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide?
The InChIKey is FSJOFAAUJLVNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-13-4-6-16(7-5-13)12-23-15(3)19(22)20-18-10-8-17(9-11-18)14(2)21/h4-11,15H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide?
N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide has a molecular weight of 327.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 42950256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).