N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide

C15H17NO2S — CID 143404677

IUPACN-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide
SMILESC=C/C=C\SC(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H17NO2S/c1-4-5-10-19-12(3)15(18)16-14-8-6-13(7-9-14)11(2)17/h4-10,12H,1H2,2-3H3,(H,16,18)/b10-5-
InChIKeyASDDEBMTTRHUAI-YHYXMXQVSA-N
MW275.37 g/mol
LogP3.65
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide

N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide (PubChem CID 143404677) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide
PubChem CID143404677
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide
SMILESC=C/C=C\SC(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H17NO2S/c1-4-5-10-19-12(3)15(18)16-14-8-6-13(7-9-14)11(2)17/h4-10,12H,1H2,2-3H3,(H,16,18)/b10-5-
InChIKeyASDDEBMTTRHUAI-YHYXMXQVSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
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(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
CID 24527802
(2S)-N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 2458536
N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide
CID 42950256
(2S)-N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 8580106
1-[4-(but-3-en-2-ylamino)phenyl]ethanone
CID 114468469
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide
CID 42950261
(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide (CID 143404677) is N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide is C=C/C=C\SC(C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide?
The InChIKey is ASDDEBMTTRHUAI-YHYXMXQVSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-5-10-19-12(3)15(18)16-14-8-6-13(7-9-14)11(2)17/h4-10,12H,1H2,2-3H3,(H,16,18)/b10-5-.
What are the key properties of N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide?
N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide has a molecular weight of 275.37 g/mol, XLogP of 3.65, 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-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide is sourced from PubChem (CID 143404677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).