N-(4-ethylphenyl)-2-phenylsulfanylpropanamide

C17H19NOS — CID 2928214

IUPACN-(4-ethylphenyl)-2-phenylsulfanylpropanamide
SMILESCCc1ccc(NC(=O)C(C)Sc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-3-14-9-11-15(12-10-14)18-17(19)13(2)20-16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,18,19)
InChIKeyLKMRGVJKRYQQJJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.37
Rot. Bonds5

About N-(4-ethylphenyl)-2-phenylsulfanylpropanamide

N-(4-ethylphenyl)-2-phenylsulfanylpropanamide (PubChem CID 2928214) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-phenylsulfanylpropanamide
PubChem CID2928214
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(4-ethylphenyl)-2-phenylsulfanylpropanamide
SMILESCCc1ccc(NC(=O)C(C)Sc2ccccc2)cc1
InChIInChI=1S/C17H19NOS/c1-3-14-9-11-15(12-10-14)18-17(19)13(2)20-16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,18,19)
InChIKeyLKMRGVJKRYQQJJ-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 100753368
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
(2S)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 2581707
4-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-4-oxobutanoic acid
CID 22786241
N-(4-ethylphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78766159
(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
CID 42297885
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7895374

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(4-ethylphenyl)-2-phenylsulfanylpropanamide (CID 2928214) is N-(4-ethylphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-phenylsulfanylpropanamide is CCc1ccc(NC(=O)C(C)Sc2ccccc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is LKMRGVJKRYQQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-14-9-11-15(12-10-14)18-17(19)13(2)20-16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-2-phenylsulfanylpropanamide?
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2928214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).