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

C19H21NO2S2 — CID 42950261

IUPACN-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide
SMILESCSc1ccc(CSC(C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H21NO2S2/c1-13(21)16-6-8-17(9-7-16)20-19(22)14(2)24-12-15-4-10-18(23-3)11-5-15/h4-11,14H,12H2,1-3H3,(H,20,22)
InChIKeyUYDKDWBCRBDAON-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.87
Rot. Bonds7

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

N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide (PubChem CID 42950261) has the molecular formula C19H21NO2S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide
PubChem CID42950261
Molecular FormulaC19H21NO2S2
Molecular Weight359.52 g/mol
Exact Mass359.10
IUPAC NameN-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide
SMILESCSc1ccc(CSC(C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H21NO2S2/c1-13(21)16-6-8-17(9-7-16)20-19(22)14(2)24-12-15-4-10-18(23-3)11-5-15/h4-11,14H,12H2,1-3H3,(H,20,22)
InChIKeyUYDKDWBCRBDAON-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide
CID 42950256
(2S)-N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 8580106
4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
CID 8580249
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-(4-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581137
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 87033749
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
CID 7389232

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide (CID 42950261) is N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide is CSc1ccc(CSC(C)C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide?
The InChIKey is UYDKDWBCRBDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S2/c1-13(21)16-6-8-17(9-7-16)20-19(22)14(2)24-12-15-4-10-18(23-3)11-5-15/h4-11,14H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide?
N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide has a molecular weight of 359.52 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 42950261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).